[{"year":"2007","title":"Interaction of radiation with matter. Part II: Light and electrons","date_created":"2020-08-28T16:18:39Z","publisher":"Forschungszentrum Jülich","file":[{"description":"© 2007 Forschungszentrum Jülich","file_size":281378,"title":"Interaction of radiation with matter: Part II: Light and electrons","file_id":"19878","access_level":"request","file_name":"A01-Schindlmayr.pdf","date_updated":"2022-01-06T06:53:40Z","date_created":"2020-10-05T11:43:03Z","creator":"schindlm","relation":"main_file","content_type":"application/pdf"}],"publication":"Probing the Nanoworld ","language":[{"iso":"eng"}],"ddc":["530"],"page":"A1.21-A1.36","intvolume":"        34","citation":{"ama":"Schindlmayr A. Interaction of radiation with matter. Part II: Light and electrons. In: Urban K, Schneider CM, Brückel T, Blügel S, eds. <i>Probing the Nanoworld </i>. Vol 34. Matter and Materials. Jülich: Forschungszentrum Jülich; 2007:A1.21-A1.36.","ieee":"A. Schindlmayr, “Interaction of radiation with matter. Part II: Light and electrons,” in <i>Probing the Nanoworld </i>, vol. 34, K. Urban, C. M. Schneider, T. Brückel, and S. Blügel, Eds. Jülich: Forschungszentrum Jülich, 2007, p. A1.21-A1.36.","chicago":"Schindlmayr, Arno. “Interaction of Radiation with Matter. Part II: Light and Electrons.” In <i>Probing the Nanoworld </i>, edited by Knut Urban, Claus Michael Schneider, Thomas Brückel, and Stefan Blügel, 34:A1.21-A1.36. Matter and Materials. Jülich: Forschungszentrum Jülich, 2007.","apa":"Schindlmayr, A. (2007). Interaction of radiation with matter. Part II: Light and electrons. In K. Urban, C. M. Schneider, T. Brückel, &#38; S. Blügel (Eds.), <i>Probing the Nanoworld </i> (Vol. 34, p. A1.21-A1.36). Jülich: Forschungszentrum Jülich.","short":"A. Schindlmayr, in: K. Urban, C.M. Schneider, T. Brückel, S. Blügel (Eds.), Probing the Nanoworld , Forschungszentrum Jülich, Jülich, 2007, p. A1.21-A1.36.","bibtex":"@inbook{Schindlmayr_2007, place={Jülich}, series={Matter and Materials}, title={Interaction of radiation with matter. Part II: Light and electrons}, volume={34}, booktitle={Probing the Nanoworld }, publisher={Forschungszentrum Jülich}, author={Schindlmayr, Arno}, editor={Urban, Knut and Schneider, Claus Michael and Brückel, Thomas and Blügel, StefanEditors}, year={2007}, pages={A1.21-A1.36}, collection={Matter and Materials} }","mla":"Schindlmayr, Arno. “Interaction of Radiation with Matter. Part II: Light and Electrons.” <i>Probing the Nanoworld </i>, edited by Knut Urban et al., vol. 34, Forschungszentrum Jülich, 2007, p. A1.21-A1.36."},"place":"Jülich","publication_identifier":{"isbn":["978-3-89336-462-6"],"issn":["1433-5506"]},"has_accepted_license":"1","publication_status":"published","conference":{"location":"Jülich","end_date":"2007-03-23","start_date":"2007-03-12","name":"38th Spring School of the Institute of Solid State Research"},"main_file_link":[{"url":"http://juser.fz-juelich.de/record/811870"}],"volume":34,"author":[{"first_name":"Arno","id":"458","full_name":"Schindlmayr, Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr"}],"date_updated":"2022-01-06T06:53:40Z","status":"public","editor":[{"full_name":"Urban, Knut","last_name":"Urban","first_name":"Knut"},{"first_name":"Claus Michael","last_name":"Schneider","full_name":"Schneider, Claus Michael"},{"first_name":"Thomas","full_name":"Brückel, Thomas","last_name":"Brückel"},{"full_name":"Blügel, Stefan","last_name":"Blügel","first_name":"Stefan"}],"type":"book_chapter","file_date_updated":"2022-01-06T06:53:40Z","extern":"1","user_id":"458","series_title":"Matter and Materials","_id":"18588"},{"intvolume":"        70","page":"357-407","citation":{"apa":"Botti, S., Schindlmayr, A., Del Sole, R., &#38; Reining, L. (2007). Time-dependent density-functional theory for extended systems. <i>Reports on Progress in Physics</i>, <i>70</i>(3), 357–407. <a href=\"https://doi.org/10.1088/0034-4885/70/3/r02\">https://doi.org/10.1088/0034-4885/70/3/r02</a>","bibtex":"@article{Botti_Schindlmayr_Del Sole_Reining_2007, title={Time-dependent density-functional theory for extended systems}, volume={70}, DOI={<a href=\"https://doi.org/10.1088/0034-4885/70/3/r02\">10.1088/0034-4885/70/3/r02</a>}, number={3}, journal={Reports on Progress in Physics}, publisher={IOP Publishing}, author={Botti, Silvana and Schindlmayr, Arno and Del Sole, Rodolfo and Reining, Lucia}, year={2007}, pages={357–407} }","mla":"Botti, Silvana, et al. “Time-Dependent Density-Functional Theory for Extended Systems.” <i>Reports on Progress in Physics</i>, vol. 70, no. 3, IOP Publishing, 2007, pp. 357–407, doi:<a href=\"https://doi.org/10.1088/0034-4885/70/3/r02\">10.1088/0034-4885/70/3/r02</a>.","short":"S. Botti, A. Schindlmayr, R. Del Sole, L. Reining, Reports on Progress in Physics 70 (2007) 357–407.","ama":"Botti S, Schindlmayr A, Del Sole R, Reining L. Time-dependent density-functional theory for extended systems. <i>Reports on Progress in Physics</i>. 2007;70(3):357-407. doi:<a href=\"https://doi.org/10.1088/0034-4885/70/3/r02\">10.1088/0034-4885/70/3/r02</a>","ieee":"S. Botti, A. Schindlmayr, R. Del Sole, and L. Reining, “Time-dependent density-functional theory for extended systems,” <i>Reports on Progress in Physics</i>, vol. 70, no. 3, pp. 357–407, 2007.","chicago":"Botti, Silvana, Arno Schindlmayr, Rodolfo Del Sole, and Lucia Reining. “Time-Dependent Density-Functional Theory for Extended Systems.” <i>Reports on Progress in Physics</i> 70, no. 3 (2007): 357–407. <a href=\"https://doi.org/10.1088/0034-4885/70/3/r02\">https://doi.org/10.1088/0034-4885/70/3/r02</a>."},"publication_identifier":{"eissn":["1361-6633"],"issn":["0034-4885"]},"has_accepted_license":"1","publication_status":"published","doi":"10.1088/0034-4885/70/3/r02","date_updated":"2022-01-06T06:53:40Z","volume":70,"author":[{"full_name":"Botti, Silvana","last_name":"Botti","first_name":"Silvana"},{"id":"458","full_name":"Schindlmayr, Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","first_name":"Arno"},{"first_name":"Rodolfo","last_name":"Del Sole","full_name":"Del Sole, Rodolfo"},{"last_name":"Reining","full_name":"Reining, Lucia","first_name":"Lucia"}],"status":"public","type":"journal_article","isi":"1","article_type":"review","file_date_updated":"2020-08-30T15:37:17Z","extern":"1","_id":"18589","user_id":"458","year":"2007","quality_controlled":"1","issue":"3","title":"Time-dependent density-functional theory for extended systems","publisher":"IOP Publishing","date_created":"2020-08-28T16:30:06Z","abstract":[{"lang":"eng","text":"For the calculation of neutral excitations, time-dependent density functional theory (TDDFT) is an exact reformulation of the many-body time-dependent Schrödinger equation, based on knowledge of the density instead of the many-body wavefunction. The density can be determined in an efficient scheme by solving one-particle non-interacting Schrödinger equations—the Kohn–Sham equations. The complication of the problem is hidden in the—unknown—time-dependent exchange and correlation potential that appears in the Kohn–Sham equations and for which it is essential to find good approximations. Many approximations have been suggested and tested for finite systems, where even the very simple adiabatic local-density approximation (ALDA) has often proved to be successful. In the case of solids, ALDA fails to reproduce optical absorption spectra, which are instead well described by solving the Bethe–Salpeter equation of many-body perturbation theory (MBPT). On the other hand, ALDA can lead to excellent results for loss functions (at vanishing and finite momentum transfer). In view of this and thanks to recent successful developments of improved linear-response kernels derived from MBPT, TDDFT is today considered a promising alternative to MBPT for the calculation of electronic spectra, even for solids. After reviewing the fundamentals of TDDFT within linear response, we discuss different approaches and a variety of applications to extended systems."}],"file":[{"content_type":"application/pdf","relation":"main_file","date_updated":"2020-08-30T15:37:17Z","creator":"schindlm","date_created":"2020-08-28T16:32:12Z","title":"Time-dependent density-functional theory for extended systems","file_size":1166692,"description":"© 2007 IOP Publishing Ltd","access_level":"closed","file_id":"18590","file_name":"Botti_2007_Rep._Prog._Phys._70_R02.pdf"}],"publication":"Reports on Progress in Physics","ddc":["530"],"language":[{"iso":"eng"}],"external_id":{"isi":["000244875800003"]}},{"status":"public","type":"journal_article","isi":"1","article_number":"5","article_type":"original","file_date_updated":"2020-08-30T15:40:54Z","extern":"1","_id":"18591","user_id":"458","intvolume":"         9","citation":{"ieee":"M. Friák, A. Schindlmayr, and M. Scheffler, “Ab initio study of the half-metal to metal transition in strained magnetite,” <i>New Journal of Physics</i>, vol. 9, no. 1, 2007.","chicago":"Friák, Martin, Arno Schindlmayr, and Matthias Scheffler. “Ab Initio Study of the Half-Metal to Metal Transition in Strained Magnetite.” <i>New Journal of Physics</i> 9, no. 1 (2007). <a href=\"https://doi.org/10.1088/1367-2630/9/1/005\">https://doi.org/10.1088/1367-2630/9/1/005</a>.","ama":"Friák M, Schindlmayr A, Scheffler M. Ab initio study of the half-metal to metal transition in strained magnetite. <i>New Journal of Physics</i>. 2007;9(1). doi:<a href=\"https://doi.org/10.1088/1367-2630/9/1/005\">10.1088/1367-2630/9/1/005</a>","apa":"Friák, M., Schindlmayr, A., &#38; Scheffler, M. (2007). Ab initio study of the half-metal to metal transition in strained magnetite. <i>New Journal of Physics</i>, <i>9</i>(1). <a href=\"https://doi.org/10.1088/1367-2630/9/1/005\">https://doi.org/10.1088/1367-2630/9/1/005</a>","bibtex":"@article{Friák_Schindlmayr_Scheffler_2007, title={Ab initio study of the half-metal to metal transition in strained magnetite}, volume={9}, DOI={<a href=\"https://doi.org/10.1088/1367-2630/9/1/005\">10.1088/1367-2630/9/1/005</a>}, number={15}, journal={New Journal of Physics}, publisher={IOP Publishing and Deutsche Physikalische Gesellschaft}, author={Friák, Martin and Schindlmayr, Arno and Scheffler, Matthias}, year={2007} }","mla":"Friák, Martin, et al. “Ab Initio Study of the Half-Metal to Metal Transition in Strained Magnetite.” <i>New Journal of Physics</i>, vol. 9, no. 1, 5, IOP Publishing and Deutsche Physikalische Gesellschaft, 2007, doi:<a href=\"https://doi.org/10.1088/1367-2630/9/1/005\">10.1088/1367-2630/9/1/005</a>.","short":"M. Friák, A. Schindlmayr, M. Scheffler, New Journal of Physics 9 (2007)."},"has_accepted_license":"1","publication_identifier":{"issn":["0034-4885"],"eissn":["1361-6633"]},"publication_status":"published","doi":"10.1088/1367-2630/9/1/005","date_updated":"2022-01-06T06:53:41Z","oa":"1","volume":9,"author":[{"first_name":"Martin","last_name":"Friák","full_name":"Friák, Martin"},{"first_name":"Arno","id":"458","full_name":"Schindlmayr, Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr"},{"full_name":"Scheffler, Matthias","last_name":"Scheffler","first_name":"Matthias"}],"abstract":[{"text":"Using density-functional theory, we investigate the stability of the half-metallic ground state of magnetite under different strain conditions. The effects of volume relaxation and internal degrees of freedom are fully taken into account. For hydrostatic compression, planar strain in the (001) plane and uniaxial strain along the [001] direction, we derive quantitative limits beyond which magnetite becomes metallic. As a major new result, we identify the bond length between the octahedrally coordinated iron atoms and their neighbouring oxygen atoms as the main characteristic parameter, and we show that the transition occurs if external strain reduces this interatomic distance from 2.06 Å in equilibrium to below a critical value of 1.99 Å. Based on this criterion, we also argue that planar strain due to epitaxial growth does not lead to a metallic state for magnetite films grown on (111)-oriented substrates.","lang":"eng"}],"file":[{"content_type":"application/pdf","relation":"main_file","date_created":"2020-08-28T16:40:11Z","creator":"schindlm","date_updated":"2020-08-30T15:40:54Z","file_id":"18592","file_name":"Friák_2007_New_J._Phys._9_005.pdf","access_level":"open_access","description":"© 2007 IOP Publishing Ltd and Deutsche Physikalische Gesellschaft","file_size":573804,"title":"Ab initio study of the half-metal to metal transition in strained magnetite"}],"publication":"New Journal of Physics","ddc":["530"],"language":[{"iso":"eng"}],"external_id":{"isi":["000243590400002"]},"year":"2007","quality_controlled":"1","issue":"1","title":"Ab initio study of the half-metal to metal transition in strained magnetite","publisher":"IOP Publishing and Deutsche Physikalische Gesellschaft","date_created":"2020-08-28T16:34:37Z"},{"doi":"10.1007/11690320_8","volume":104,"author":[{"first_name":"Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","full_name":"Schindlmayr, Arno","id":"458"},{"full_name":"Scheffler, Matthias","last_name":"Scheffler","first_name":"Matthias"}],"date_updated":"2022-01-06T06:53:41Z","intvolume":"       104","page":"165-192","citation":{"apa":"Schindlmayr, A., &#38; Scheffler, M. (2007). Quasiparticle calculations for point defects at semiconductor surfaces. In D. A. Drabold &#38; S. K. Estreicher (Eds.), <i>Theory of Defects in Semiconductors</i> (Vol. 104, pp. 165–192). Berlin, Heidelberg: Springer. <a href=\"https://doi.org/10.1007/11690320_8\">https://doi.org/10.1007/11690320_8</a>","short":"A. Schindlmayr, M. Scheffler, in: D.A. Drabold, S.K. Estreicher (Eds.), Theory of Defects in Semiconductors, Springer, Berlin, Heidelberg, 2007, pp. 165–192.","bibtex":"@inbook{Schindlmayr_Scheffler_2007, place={Berlin, Heidelberg}, series={Topics in Applied Physics}, title={Quasiparticle calculations for point defects at semiconductor surfaces}, volume={104}, DOI={<a href=\"https://doi.org/10.1007/11690320_8\">10.1007/11690320_8</a>}, booktitle={Theory of Defects in Semiconductors}, publisher={Springer}, author={Schindlmayr, Arno and Scheffler, Matthias}, editor={Drabold, David A. and Estreicher, Stefan K.Editors}, year={2007}, pages={165–192}, collection={Topics in Applied Physics} }","mla":"Schindlmayr, Arno, and Matthias Scheffler. “Quasiparticle Calculations for Point Defects at Semiconductor Surfaces.” <i>Theory of Defects in Semiconductors</i>, edited by David A. Drabold and Stefan K. Estreicher, vol. 104, Springer, 2007, pp. 165–92, doi:<a href=\"https://doi.org/10.1007/11690320_8\">10.1007/11690320_8</a>.","ama":"Schindlmayr A, Scheffler M. Quasiparticle calculations for point defects at semiconductor surfaces. In: Drabold DA, Estreicher SK, eds. <i>Theory of Defects in Semiconductors</i>. Vol 104. Topics in Applied Physics. Berlin, Heidelberg: Springer; 2007:165-192. doi:<a href=\"https://doi.org/10.1007/11690320_8\">10.1007/11690320_8</a>","ieee":"A. Schindlmayr and M. Scheffler, “Quasiparticle calculations for point defects at semiconductor surfaces,” in <i>Theory of Defects in Semiconductors</i>, vol. 104, D. A. Drabold and S. K. Estreicher, Eds. Berlin, Heidelberg: Springer, 2007, pp. 165–192.","chicago":"Schindlmayr, Arno, and Matthias Scheffler. “Quasiparticle Calculations for Point Defects at Semiconductor Surfaces.” In <i>Theory of Defects in Semiconductors</i>, edited by David A. Drabold and Stefan K. Estreicher, 104:165–92. Topics in Applied Physics. Berlin, Heidelberg: Springer, 2007. <a href=\"https://doi.org/10.1007/11690320_8\">https://doi.org/10.1007/11690320_8</a>."},"place":"Berlin, Heidelberg","publication_identifier":{"eisbn":["978-3-540-33401-9"],"issn":["0303-4216"],"isbn":["978-3-540-33400-2"],"eissn":["1437-0859"]},"has_accepted_license":"1","publication_status":"published","file_date_updated":"2020-08-30T15:42:34Z","extern":"1","isi":"1","series_title":"Topics in Applied Physics","user_id":"458","_id":"18593","status":"public","editor":[{"first_name":"David A.","full_name":"Drabold, David A.","last_name":"Drabold"},{"last_name":"Estreicher","full_name":"Estreicher, Stefan K.","first_name":"Stefan K."}],"type":"book_chapter","title":"Quasiparticle calculations for point defects at semiconductor surfaces","date_created":"2020-08-28T16:43:51Z","publisher":"Springer","year":"2007","quality_controlled":"1","language":[{"iso":"eng"}],"ddc":["530"],"external_id":{"isi":["000241944900008"]},"file":[{"access_level":"closed","file_id":"18594","file_name":"Schindlmayr-Scheffler2007_Chapter_QuasiparticleCalculationsForPo.pdf","title":"Quasiparticle calculations for point defects at semiconductor surfaces","description":"© 2007 Springer-Verlag, Berlin, Heidelberg","file_size":649066,"creator":"schindlm","date_created":"2020-08-28T16:49:56Z","date_updated":"2020-08-30T15:42:34Z","relation":"main_file","content_type":"application/pdf"}],"abstract":[{"text":"We present a quantitative parameter-free method for calculating defect states and charge-transition levels of point defects in semiconductors. It combines the strength of density-functional theory for ground-state total energies with quasiparticle corrections to the excitation spectrum obtained from many-body perturbation theory. The latter is implemented within the G0W0 approximation, in which the electronic self-energy is constructed non-self-consistently from the Green’s function of the underlying Kohn–Sham system. The method is general and applicable to arbitrary bulk or surface defects. As an example we consider anion vacancies at the (110) surfaces of III–V semiconductors. Relative to the Kohn–Sham eigenvalues in the local-density approximation, the quasiparticle corrections open the fundamental band gap and raise the position of defect states inside the gap. As a consequence, the charge-transition levels are also pushed to higher energies, leading to close agreement with the available experimental data.","lang":"eng"}],"publication":"Theory of Defects in Semiconductors"},{"isi":"1","article_type":"original","extern":"1","file_date_updated":"2020-08-30T15:35:32Z","_id":"18595","user_id":"458","status":"public","type":"journal_article","doi":"10.1016/j.cpc.2006.07.018","date_updated":"2022-11-11T06:50:39Z","volume":176,"author":[{"first_name":"Christoph","last_name":"Freysoldt","full_name":"Freysoldt, Christoph"},{"last_name":"Eggert","full_name":"Eggert, Philipp","first_name":"Philipp"},{"full_name":"Rinke, Patrick","last_name":"Rinke","first_name":"Patrick"},{"full_name":"Schindlmayr, Arno","id":"458","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","first_name":"Arno"},{"first_name":"Rex W.","full_name":"Godby, Rex W.","last_name":"Godby"},{"last_name":"Scheffler","full_name":"Scheffler, Matthias","first_name":"Matthias"}],"intvolume":"       176","page":"1-13","citation":{"ieee":"C. Freysoldt, P. Eggert, P. Rinke, A. Schindlmayr, R. W. Godby, and M. Scheffler, “Dielectric anisotropy in the GW space–time method,” <i>Computer Physics Communications</i>, vol. 176, no. 1, pp. 1–13, 2007, doi: <a href=\"https://doi.org/10.1016/j.cpc.2006.07.018\">10.1016/j.cpc.2006.07.018</a>.","chicago":"Freysoldt, Christoph, Philipp Eggert, Patrick Rinke, Arno Schindlmayr, Rex W. Godby, and Matthias Scheffler. “Dielectric Anisotropy in the GW Space–Time Method.” <i>Computer Physics Communications</i> 176, no. 1 (2007): 1–13. <a href=\"https://doi.org/10.1016/j.cpc.2006.07.018\">https://doi.org/10.1016/j.cpc.2006.07.018</a>.","ama":"Freysoldt C, Eggert P, Rinke P, Schindlmayr A, Godby RW, Scheffler M. Dielectric anisotropy in the GW space–time method. <i>Computer Physics Communications</i>. 2007;176(1):1-13. doi:<a href=\"https://doi.org/10.1016/j.cpc.2006.07.018\">10.1016/j.cpc.2006.07.018</a>","apa":"Freysoldt, C., Eggert, P., Rinke, P., Schindlmayr, A., Godby, R. W., &#38; Scheffler, M. (2007). Dielectric anisotropy in the GW space–time method. <i>Computer Physics Communications</i>, <i>176</i>(1), 1–13. <a href=\"https://doi.org/10.1016/j.cpc.2006.07.018\">https://doi.org/10.1016/j.cpc.2006.07.018</a>","mla":"Freysoldt, Christoph, et al. “Dielectric Anisotropy in the GW Space–Time Method.” <i>Computer Physics Communications</i>, vol. 176, no. 1, Elsevier, 2007, pp. 1–13, doi:<a href=\"https://doi.org/10.1016/j.cpc.2006.07.018\">10.1016/j.cpc.2006.07.018</a>.","short":"C. Freysoldt, P. Eggert, P. Rinke, A. Schindlmayr, R.W. Godby, M. Scheffler, Computer Physics Communications 176 (2007) 1–13.","bibtex":"@article{Freysoldt_Eggert_Rinke_Schindlmayr_Godby_Scheffler_2007, title={Dielectric anisotropy in the GW space–time method}, volume={176}, DOI={<a href=\"https://doi.org/10.1016/j.cpc.2006.07.018\">10.1016/j.cpc.2006.07.018</a>}, number={1}, journal={Computer Physics Communications}, publisher={Elsevier}, author={Freysoldt, Christoph and Eggert, Philipp and Rinke, Patrick and Schindlmayr, Arno and Godby, Rex W. and Scheffler, Matthias}, year={2007}, pages={1–13} }"},"publication_identifier":{"issn":["0010-4655"]},"has_accepted_license":"1","publication_status":"published","ddc":["530"],"language":[{"iso":"eng"}],"external_id":{"isi":["000243680100001"],"arxiv":["cond-mat/0608215"]},"abstract":[{"lang":"eng","text":"Excited-state calculations, notably for quasiparticle band structures, are nowadays routinely performed within the GW approximation for the electronic self-energy. Nevertheless, certain numerical approximations and simplifications are still employed in practice to make the computations feasible. An important aspect for periodic systems is the proper treatment of the singularity of the screened Coulomb interaction in reciprocal space, which results from the slow 1/r decay in real space. This must be done without introducing artificial interactions between the quasiparticles and their periodic images in repeated cells, which occur when integrals of the screened Coulomb interaction are discretised in reciprocal space. An adequate treatment of both aspects is crucial for a numerically stable computation of the self-energy. In this article we build on existing schemes for isotropic screening and present an extension for anisotropic systems. We also show how the contributions to the dielectric function arising from the non-local part of the pseudopotentials can be computed efficiently. These improvements are crucial for obtaining a fast convergence with respect to the number of points used for the Brillouin zone integration and prove to be essential to make GW calculations for strongly anisotropic systems, such as slabs or multilayers, efficient."}],"file":[{"relation":"main_file","description":"© 2006 Elsevier B.V.","title":"Dielectric anisotropy in the GW space-time method","access_level":"closed","file_id":"18596","date_updated":"2020-08-30T15:35:32Z","date_created":"2020-08-28T17:56:51Z","content_type":"application/pdf","file_size":267788,"file_name":"CPC-176-1-2007.pdf","creator":"schindlm"}],"publication":"Computer Physics Communications","title":"Dielectric anisotropy in the GW space–time method","publisher":"Elsevier","date_created":"2020-08-28T16:52:21Z","year":"2007","quality_controlled":"1","issue":"1"},{"language":[{"iso":"eng"}],"ddc":["530"],"file":[{"content_type":"application/pdf","relation":"main_file","date_created":"2020-08-28T18:28:38Z","creator":"schindlm","date_updated":"2022-01-06T06:53:43Z","file_id":"18605","file_name":"A05friedrich.pdf","access_level":"request","file_size":846166,"description":"© 2006 Forschungszentrum Jülich","title":"Many-body perturbation theory: The GW approximation"}],"publication":"Computational Condensed Matter Physics","title":"Many-body perturbation theory: The GW approximation","date_created":"2020-08-28T18:18:37Z","publisher":"Forschungszentrum Jülich","year":"2006","file_date_updated":"2022-01-06T06:53:43Z","extern":"1","user_id":"458","series_title":"Matter and Materials","_id":"18601","status":"public","editor":[{"last_name":"Blügel","full_name":"Blügel, Stefan","first_name":"Stefan"},{"first_name":"Gerhard","last_name":"Gompper","full_name":"Gompper, Gerhard"},{"first_name":"Erik","full_name":"Koch, Erik","last_name":"Koch"},{"full_name":"Müller-Krumbhaar, Heiner","last_name":"Müller-Krumbhaar","first_name":"Heiner"},{"full_name":"Spatschek, Robert","last_name":"Spatschek","first_name":"Robert"},{"first_name":"Roland G.","full_name":"Winkler, Roland G.","last_name":"Winkler"}],"type":"book_chapter","main_file_link":[{"open_access":"1","url":"http://hdl.handle.net/2128/2396"}],"conference":{"end_date":"2006-03-17","location":"Jülich","name":"37th Spring School of the Institute of Solid State Research","start_date":"2006-03-06"},"author":[{"first_name":"Christoph","full_name":"Friedrich, Christoph","last_name":"Friedrich"},{"id":"458","full_name":"Schindlmayr, Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","first_name":"Arno"}],"volume":32,"oa":"1","date_updated":"2022-01-06T06:53:43Z","citation":{"ama":"Friedrich C, Schindlmayr A. Many-body perturbation theory: The GW approximation. In: Blügel S, Gompper G, Koch E, Müller-Krumbhaar H, Spatschek R, Winkler RG, eds. <i>Computational Condensed Matter Physics</i>. Vol 32. Matter and Materials. Jülich: Forschungszentrum Jülich; 2006:A5.1-A5.21.","chicago":"Friedrich, Christoph, and Arno Schindlmayr. “Many-Body Perturbation Theory: The GW Approximation.” In <i>Computational Condensed Matter Physics</i>, edited by Stefan Blügel, Gerhard Gompper, Erik Koch, Heiner Müller-Krumbhaar, Robert Spatschek, and Roland G. Winkler, 32:A5.1-A5.21. Matter and Materials. Jülich: Forschungszentrum Jülich, 2006.","ieee":"C. Friedrich and A. Schindlmayr, “Many-body perturbation theory: The GW approximation,” in <i>Computational Condensed Matter Physics</i>, vol. 32, S. Blügel, G. Gompper, E. Koch, H. Müller-Krumbhaar, R. Spatschek, and R. G. Winkler, Eds. Jülich: Forschungszentrum Jülich, 2006, p. A5.1-A5.21.","short":"C. Friedrich, A. Schindlmayr, in: S. Blügel, G. Gompper, E. Koch, H. Müller-Krumbhaar, R. Spatschek, R.G. Winkler (Eds.), Computational Condensed Matter Physics, Forschungszentrum Jülich, Jülich, 2006, p. A5.1-A5.21.","mla":"Friedrich, Christoph, and Arno Schindlmayr. “Many-Body Perturbation Theory: The GW Approximation.” <i>Computational Condensed Matter Physics</i>, edited by Stefan Blügel et al., vol. 32, Forschungszentrum Jülich, 2006, p. A5.1-A5.21.","bibtex":"@inbook{Friedrich_Schindlmayr_2006, place={Jülich}, series={Matter and Materials}, title={Many-body perturbation theory: The GW approximation}, volume={32}, booktitle={Computational Condensed Matter Physics}, publisher={Forschungszentrum Jülich}, author={Friedrich, Christoph and Schindlmayr, Arno}, editor={Blügel, Stefan and Gompper, Gerhard and Koch, Erik and Müller-Krumbhaar, Heiner and Spatschek, Robert and Winkler, Roland G.Editors}, year={2006}, pages={A5.1-A5.21}, collection={Matter and Materials} }","apa":"Friedrich, C., &#38; Schindlmayr, A. (2006). Many-body perturbation theory: The GW approximation. In S. Blügel, G. Gompper, E. Koch, H. Müller-Krumbhaar, R. Spatschek, &#38; R. G. Winkler (Eds.), <i>Computational Condensed Matter Physics</i> (Vol. 32, p. A5.1-A5.21). Jülich: Forschungszentrum Jülich."},"intvolume":"        32","page":"A5.1-A5.21","place":"Jülich","publication_status":"published","has_accepted_license":"1","publication_identifier":{"issn":["1433-5506"],"isbn":["3-89336-430-7"]}},{"oa":"1","date_updated":"2022-01-06T06:53:43Z","author":[{"last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","id":"458","full_name":"Schindlmayr, Arno","first_name":"Arno"}],"volume":32,"main_file_link":[{"url":"http://hdl.handle.net/2128/2396","open_access":"1"}],"conference":{"end_date":"2006-03-17","location":"Jülich","name":"37th Spring School of the Institute of Solid State Research","start_date":"2006-03-06"},"publication_status":"published","publication_identifier":{"issn":["1433-5506"],"isbn":["3-89336-430-7"]},"has_accepted_license":"1","place":"Jülich","citation":{"chicago":"Schindlmayr, Arno. “Time-Dependent Density-Functional Theory.” In <i>Computational Condensed Matter Physics</i>, edited by Stefan Blügel, Gerhard Gompper, Erik Koch, Heiner Müller-Krumbhaar, Robert Spatschek, and Roland G. Winkler, 32:A4.1-A4.19. Matter and Materials. Jülich: Forschungszentrum Jülich, 2006.","ieee":"A. Schindlmayr, “Time-dependent density-functional theory,” in <i>Computational Condensed Matter Physics</i>, vol. 32, S. Blügel, G. Gompper, E. Koch, H. Müller-Krumbhaar, R. Spatschek, and R. G. Winkler, Eds. Jülich: Forschungszentrum Jülich, 2006, p. A4.1-A4.19.","ama":"Schindlmayr A. Time-dependent density-functional theory. In: Blügel S, Gompper G, Koch E, Müller-Krumbhaar H, Spatschek R, Winkler RG, eds. <i>Computational Condensed Matter Physics</i>. Vol 32. Matter and Materials. Jülich: Forschungszentrum Jülich; 2006:A4.1-A4.19.","short":"A. Schindlmayr, in: S. Blügel, G. Gompper, E. Koch, H. Müller-Krumbhaar, R. Spatschek, R.G. Winkler (Eds.), Computational Condensed Matter Physics, Forschungszentrum Jülich, Jülich, 2006, p. A4.1-A4.19.","bibtex":"@inbook{Schindlmayr_2006, place={Jülich}, series={Matter and Materials}, title={Time-dependent density-functional theory}, volume={32}, booktitle={Computational Condensed Matter Physics}, publisher={Forschungszentrum Jülich}, author={Schindlmayr, Arno}, editor={Blügel, Stefan and Gompper, Gerhard and Koch, Erik and Müller-Krumbhaar, Heiner and Spatschek, Robert and Winkler, Roland G.Editors}, year={2006}, pages={A4.1-A4.19}, collection={Matter and Materials} }","mla":"Schindlmayr, Arno. “Time-Dependent Density-Functional Theory.” <i>Computational Condensed Matter Physics</i>, edited by Stefan Blügel et al., vol. 32, Forschungszentrum Jülich, 2006, p. A4.1-A4.19.","apa":"Schindlmayr, A. (2006). Time-dependent density-functional theory. In S. Blügel, G. Gompper, E. Koch, H. Müller-Krumbhaar, R. Spatschek, &#38; R. G. Winkler (Eds.), <i>Computational Condensed Matter Physics</i> (Vol. 32, p. A4.1-A4.19). Jülich: Forschungszentrum Jülich."},"intvolume":"        32","page":"A4.1-A4.19","_id":"18603","series_title":"Matter and Materials","user_id":"458","file_date_updated":"2022-01-06T06:53:43Z","extern":"1","type":"book_chapter","editor":[{"first_name":"Stefan","last_name":"Blügel","full_name":"Blügel, Stefan"},{"full_name":"Gompper, Gerhard","last_name":"Gompper","first_name":"Gerhard"},{"first_name":"Erik","last_name":"Koch","full_name":"Koch, Erik"},{"last_name":"Müller-Krumbhaar","full_name":"Müller-Krumbhaar, Heiner","first_name":"Heiner"},{"first_name":"Robert","full_name":"Spatschek, Robert","last_name":"Spatschek"},{"full_name":"Winkler, Roland G.","last_name":"Winkler","first_name":"Roland G."}],"status":"public","publisher":"Forschungszentrum Jülich","date_created":"2020-08-28T18:27:40Z","title":"Time-dependent density-functional theory","year":"2006","ddc":["530"],"language":[{"iso":"eng"}],"publication":"Computational Condensed Matter Physics","file":[{"date_created":"2020-08-28T18:27:04Z","date_updated":"2022-01-06T06:53:43Z","access_level":"request","file_id":"18604","description":"© 2006 Forschungszentrum Jülich","title":"Time-dependent density-functional theory","relation":"main_file","creator":"schindlm","file_name":"A04schindlmayr.pdf","file_size":492168,"content_type":"application/pdf"}]},{"year":"2006","title":"Many-body perturbation theory: The GW approximation","date_created":"2020-08-28T18:43:18Z","publisher":"John von Neumann Institute for Computing","file":[{"content_type":"application/pdf","relation":"main_file","creator":"schindlm","date_created":"2020-08-28T18:38:38Z","date_updated":"2022-01-06T06:53:43Z","file_name":"NIC-GW.pdf","access_level":"request","file_id":"18607","title":"Many-body perturbation theory: The GW approximation","description":"© 2006 John von Neumann Institute for Computing","file_size":317126}],"abstract":[{"lang":"eng","text":"In this lecture we present many-body perturbation theory as a method to determine quasiparticle excitations in solids, especially electronic band structures, accurately from first principles. The main ingredient is the electronic self-energy that, in principle, contains all many-body exchange and correlation effects beyond the Hartree potential. As its exact mathematical expression is unknown, approximations must be used in practical calculations. The approximation is obtained using a systematic algebraic approach on the basis of Green function techniques. It constitutes an expansion of the self-energy up to linear order in the screened Coulomb potential, which describes the interaction between the quasiparticles and includes dynamic screening through the creation of exchange-correlation holes around the bare particles. The implementation of the approximation relies on a perturbative treatment starting from density functional theory. Besides a detailed mathematical discussion we focus on the underlying physical concepts and show some illustrative applications."}],"publication":"Computational Nanoscience: Do It Yourself!","language":[{"iso":"eng"}],"ddc":["530"],"citation":{"chicago":"Friedrich, Christoph, and Arno Schindlmayr. “Many-Body Perturbation Theory: The GW Approximation.” In <i>Computational Nanoscience: Do It Yourself!</i>, edited by Johannes Grotendorst, Stefan Blügel, and Dominik Marx, 31:335–55. NIC Series. Jülich: John von Neumann Institute for Computing, 2006.","ieee":"C. Friedrich and A. Schindlmayr, “Many-body perturbation theory: The GW approximation,” in <i>Computational Nanoscience: Do It Yourself!</i>, vol. 31, J. Grotendorst, S. Blügel, and D. Marx, Eds. Jülich: John von Neumann Institute for Computing, 2006, pp. 335–355.","ama":"Friedrich C, Schindlmayr A. Many-body perturbation theory: The GW approximation. In: Grotendorst J, Blügel S, Marx D, eds. <i>Computational Nanoscience: Do It Yourself!</i>. Vol 31. NIC Series. Jülich: John von Neumann Institute for Computing; 2006:335-355.","apa":"Friedrich, C., &#38; Schindlmayr, A. (2006). Many-body perturbation theory: The GW approximation. In J. Grotendorst, S. Blügel, &#38; D. Marx (Eds.), <i>Computational Nanoscience: Do It Yourself!</i> (Vol. 31, pp. 335–355). Jülich: John von Neumann Institute for Computing.","mla":"Friedrich, Christoph, and Arno Schindlmayr. “Many-Body Perturbation Theory: The GW Approximation.” <i>Computational Nanoscience: Do It Yourself!</i>, edited by Johannes Grotendorst et al., vol. 31, John von Neumann Institute for Computing, 2006, pp. 335–55.","short":"C. Friedrich, A. Schindlmayr, in: J. Grotendorst, S. Blügel, D. Marx (Eds.), Computational Nanoscience: Do It Yourself!, John von Neumann Institute for Computing, Jülich, 2006, pp. 335–355.","bibtex":"@inbook{Friedrich_Schindlmayr_2006, place={Jülich}, series={NIC Series}, title={Many-body perturbation theory: The GW approximation}, volume={31}, booktitle={Computational Nanoscience: Do It Yourself!}, publisher={John von Neumann Institute for Computing}, author={Friedrich, Christoph and Schindlmayr, Arno}, editor={Grotendorst, Johannes and Blügel, Stefan and Marx, DominikEditors}, year={2006}, pages={335–355}, collection={NIC Series} }"},"page":"335-355","intvolume":"        31","place":"Jülich","publication_status":"published","publication_identifier":{"isbn":["3-00-017350-1"]},"has_accepted_license":"1","main_file_link":[{"url":"http://hdl.handle.net/2128/4778","open_access":"1"}],"conference":{"start_date":"2006-02-14","name":"NIC Winter School","location":"Jülich","end_date":"2006-02-22"},"author":[{"full_name":"Friedrich, Christoph","last_name":"Friedrich","first_name":"Christoph"},{"first_name":"Arno","id":"458","full_name":"Schindlmayr, Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr"}],"volume":31,"date_updated":"2022-01-06T06:53:43Z","oa":"1","status":"public","editor":[{"first_name":"Johannes","last_name":"Grotendorst","full_name":"Grotendorst, Johannes"},{"full_name":"Blügel, Stefan","last_name":"Blügel","first_name":"Stefan"},{"first_name":"Dominik","full_name":"Marx, Dominik","last_name":"Marx"}],"type":"book_chapter","file_date_updated":"2022-01-06T06:53:43Z","extern":"1","series_title":"NIC Series","user_id":"458","_id":"18606"},{"author":[{"first_name":"Magnus","last_name":"Hedström","full_name":"Hedström, Magnus"},{"first_name":"Arno","id":"458","full_name":"Schindlmayr, Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X"},{"first_name":"Günther","last_name":"Schwarz","full_name":"Schwarz, Günther"},{"full_name":"Scheffler, Matthias","last_name":"Scheffler","first_name":"Matthias"}],"volume":97,"date_updated":"2022-11-11T06:49:23Z","oa":"1","doi":"10.1103/PhysRevLett.97.226401","publication_status":"published","has_accepted_license":"1","publication_identifier":{"issn":["0031-9007"],"eissn":["1079-7114"]},"pmid":"1","citation":{"ama":"Hedström M, Schindlmayr A, Schwarz G, Scheffler M. Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110). <i>Physical Review Letters</i>. 2006;97(22). doi:<a href=\"https://doi.org/10.1103/PhysRevLett.97.226401\">10.1103/PhysRevLett.97.226401</a>","ieee":"M. Hedström, A. Schindlmayr, G. Schwarz, and M. Scheffler, “Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110),” <i>Physical Review Letters</i>, vol. 97, no. 22, Art. no. 226401, 2006, doi: <a href=\"https://doi.org/10.1103/PhysRevLett.97.226401\">10.1103/PhysRevLett.97.226401</a>.","chicago":"Hedström, Magnus, Arno Schindlmayr, Günther Schwarz, and Matthias Scheffler. “Quasiparticle Corrections to the Electronic Properties of Anion Vacancies at GaAs(110) and InP(110).” <i>Physical Review Letters</i> 97, no. 22 (2006). <a href=\"https://doi.org/10.1103/PhysRevLett.97.226401\">https://doi.org/10.1103/PhysRevLett.97.226401</a>.","apa":"Hedström, M., Schindlmayr, A., Schwarz, G., &#38; Scheffler, M. (2006). Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110). <i>Physical Review Letters</i>, <i>97</i>(22), Article 226401. <a href=\"https://doi.org/10.1103/PhysRevLett.97.226401\">https://doi.org/10.1103/PhysRevLett.97.226401</a>","short":"M. Hedström, A. Schindlmayr, G. Schwarz, M. Scheffler, Physical Review Letters 97 (2006).","mla":"Hedström, Magnus, et al. “Quasiparticle Corrections to the Electronic Properties of Anion Vacancies at GaAs(110) and InP(110).” <i>Physical Review Letters</i>, vol. 97, no. 22, 226401, American Physical Society, 2006, doi:<a href=\"https://doi.org/10.1103/PhysRevLett.97.226401\">10.1103/PhysRevLett.97.226401</a>.","bibtex":"@article{Hedström_Schindlmayr_Schwarz_Scheffler_2006, title={Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110)}, volume={97}, DOI={<a href=\"https://doi.org/10.1103/PhysRevLett.97.226401\">10.1103/PhysRevLett.97.226401</a>}, number={22226401}, journal={Physical Review Letters}, publisher={American Physical Society}, author={Hedström, Magnus and Schindlmayr, Arno and Schwarz, Günther and Scheffler, Matthias}, year={2006} }"},"intvolume":"        97","user_id":"458","_id":"18597","file_date_updated":"2020-08-30T15:54:01Z","extern":"1","article_number":"226401","isi":"1","article_type":"original","type":"journal_article","status":"public","date_created":"2020-08-28T18:02:16Z","publisher":"American Physical Society","title":"Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110)","issue":"22","quality_controlled":"1","year":"2006","external_id":{"pmid":["17155819"],"isi":["000242538700040"],"arxiv":["cond-mat/0611639"]},"language":[{"iso":"eng"}],"ddc":["530"],"publication":"Physical Review Letters","file":[{"file_name":"PhysRevLett.97.226401.pdf","file_size":122754,"creator":"schindlm","content_type":"application/pdf","file_id":"18598","access_level":"open_access","description":"Creative Commons Attribution 3.0 Unported Public License (CC BY 3.0)","title":"Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110)","date_created":"2020-08-28T18:04:00Z","date_updated":"2020-08-30T15:54:01Z","relation":"main_file"}],"abstract":[{"lang":"eng","text":"We propose a new method for calculating optical defect levels and thermodynamic charge-transition levels of point defects in semiconductors, which includes quasiparticle corrections to the Kohn-Sham eigenvalues of density-functional theory. Its applicability is demonstrated for anion vacancies at the (110) surfaces of III–V semiconductors. We find the (+/0) charge-transition level to be 0.49 eV above the surface valence-band maximum for GaAs(110) and 0.82 eV for InP(110). The results show a clear improvement over the local-density approximation and agree closely with an experimental analysis."}]},{"date_updated":"2022-11-11T06:51:40Z","oa":"1","author":[{"full_name":"Friedrich, Christoph","last_name":"Friedrich","first_name":"Christoph"},{"last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","full_name":"Schindlmayr, Arno","id":"458","first_name":"Arno"},{"full_name":"Blügel, Stefan","last_name":"Blügel","first_name":"Stefan"},{"last_name":"Kotani","full_name":"Kotani, Takao","first_name":"Takao"}],"volume":74,"doi":"10.1103/physrevb.74.045104","publication_status":"published","has_accepted_license":"1","publication_identifier":{"issn":["1098-0121"],"eissn":["1550-235X"]},"citation":{"apa":"Friedrich, C., Schindlmayr, A., Blügel, S., &#38; Kotani, T. (2006). Elimination of the linearization error in GW calculations based on the linearized augmented-plane-wave method. <i>Physical Review B</i>, <i>74</i>(4), Article 045104. <a href=\"https://doi.org/10.1103/physrevb.74.045104\">https://doi.org/10.1103/physrevb.74.045104</a>","short":"C. Friedrich, A. Schindlmayr, S. Blügel, T. Kotani, Physical Review B 74 (2006).","bibtex":"@article{Friedrich_Schindlmayr_Blügel_Kotani_2006, title={Elimination of the linearization error in GW calculations based on the linearized augmented-plane-wave method}, volume={74}, DOI={<a href=\"https://doi.org/10.1103/physrevb.74.045104\">10.1103/physrevb.74.045104</a>}, number={4045104}, journal={Physical Review B}, author={Friedrich, Christoph and Schindlmayr, Arno and Blügel, Stefan and Kotani, Takao}, year={2006} }","mla":"Friedrich, Christoph, et al. “Elimination of the Linearization Error in GW Calculations Based on the Linearized Augmented-Plane-Wave Method.” <i>Physical Review B</i>, vol. 74, no. 4, 045104, 2006, doi:<a href=\"https://doi.org/10.1103/physrevb.74.045104\">10.1103/physrevb.74.045104</a>.","ama":"Friedrich C, Schindlmayr A, Blügel S, Kotani T. Elimination of the linearization error in GW calculations based on the linearized augmented-plane-wave method. <i>Physical Review B</i>. 2006;74(4). doi:<a href=\"https://doi.org/10.1103/physrevb.74.045104\">10.1103/physrevb.74.045104</a>","chicago":"Friedrich, Christoph, Arno Schindlmayr, Stefan Blügel, and Takao Kotani. “Elimination of the Linearization Error in GW Calculations Based on the Linearized Augmented-Plane-Wave Method.” <i>Physical Review B</i> 74, no. 4 (2006). <a href=\"https://doi.org/10.1103/physrevb.74.045104\">https://doi.org/10.1103/physrevb.74.045104</a>.","ieee":"C. Friedrich, A. Schindlmayr, S. Blügel, and T. Kotani, “Elimination of the linearization error in GW calculations based on the linearized augmented-plane-wave method,” <i>Physical Review B</i>, vol. 74, no. 4, Art. no. 045104, 2006, doi: <a href=\"https://doi.org/10.1103/physrevb.74.045104\">10.1103/physrevb.74.045104</a>."},"intvolume":"        74","_id":"18599","user_id":"458","article_number":"045104","article_type":"original","isi":"1","file_date_updated":"2020-08-30T15:43:33Z","extern":"1","type":"journal_article","status":"public","date_created":"2020-08-28T18:05:34Z","title":"Elimination of the linearization error in GW calculations based on the linearized augmented-plane-wave method","quality_controlled":"1","issue":"4","year":"2006","external_id":{"arxiv":["cond-mat/0606605"],"isi":["000239426800021"]},"ddc":["530"],"language":[{"iso":"eng"}],"publication":"Physical Review B","abstract":[{"lang":"eng","text":"This paper investigates the influence of the basis set on the GW self-energy correction in the full-potential linearized augmented-plane-wave (LAPW) approach and similar linearized all-electron methods. A systematic improvement is achieved by including local orbitals that are defined as second and higher energy derivatives of solutions to the radial scalar-relativistic Dirac equation and thus constitute a natural extension of the LAPW basis set. Within this approach linearization errors can be eliminated, and the basis set becomes complete. While the exchange contribution to the self-energy is little affected by the increased basis-set flexibility, the correlation contribution benefits from the better description of the unoccupied states, as do the quasiparticle energies. The resulting band gaps remain relatively unaffected, however; for Si we find an increase of 0.03 eV."}],"file":[{"relation":"main_file","content_type":"application/pdf","access_level":"open_access","file_name":"PhysRevB.74.045104.pdf","file_id":"18600","title":"Elimination of the linearization error in GW calculations based on the linearized augmented-plane-wave method","file_size":163641,"description":"© 2006 American Physical Society","creator":"schindlm","date_created":"2020-08-28T18:07:06Z","date_updated":"2020-08-30T15:43:33Z"}]},{"type":"book_chapter","status":"public","editor":[{"first_name":"Stefan","full_name":"Blügel, Stefan","last_name":"Blügel"},{"full_name":"Brückel, Thomas","last_name":"Brückel","first_name":"Thomas"},{"full_name":"Schneider, Claus Michael","last_name":"Schneider","first_name":"Claus Michael"}],"series_title":"Matter and Materials","user_id":"458","_id":"18608","extern":"1","file_date_updated":"2022-01-06T06:53:43Z","publication_identifier":{"isbn":["3-89336-381-5"],"issn":["1433-5506"]},"has_accepted_license":"1","publication_status":"published","page":"D1.1-D1.20","intvolume":"        26","citation":{"apa":"Schindlmayr, A. (2005). Magnetic excitations. In S. Blügel, T. Brückel, &#38; C. M. Schneider (Eds.), <i>Magnetism goes Nano</i> (Vol. 26, p. D1.1-D1.20). Jülich: Forschungszentrum Jülich.","bibtex":"@inbook{Schindlmayr_2005, place={Jülich}, series={Matter and Materials}, title={Magnetic excitations}, volume={26}, booktitle={Magnetism goes Nano}, publisher={Forschungszentrum Jülich}, author={Schindlmayr, Arno}, editor={Blügel, Stefan and Brückel, Thomas and Schneider, Claus MichaelEditors}, year={2005}, pages={D1.1-D1.20}, collection={Matter and Materials} }","mla":"Schindlmayr, Arno. “Magnetic Excitations.” <i>Magnetism Goes Nano</i>, edited by Stefan Blügel et al., vol. 26, Forschungszentrum Jülich, 2005, p. D1.1-D1.20.","short":"A. Schindlmayr, in: S. Blügel, T. Brückel, C.M. Schneider (Eds.), Magnetism Goes Nano, Forschungszentrum Jülich, Jülich, 2005, p. D1.1-D1.20.","ama":"Schindlmayr A. Magnetic excitations. In: Blügel S, Brückel T, Schneider CM, eds. <i>Magnetism Goes Nano</i>. Vol 26. Matter and Materials. Jülich: Forschungszentrum Jülich; 2005:D1.1-D1.20.","chicago":"Schindlmayr, Arno. “Magnetic Excitations.” In <i>Magnetism Goes Nano</i>, edited by Stefan Blügel, Thomas Brückel, and Claus Michael Schneider, 26:D1.1-D1.20. Matter and Materials. Jülich: Forschungszentrum Jülich, 2005.","ieee":"A. Schindlmayr, “Magnetic excitations,” in <i>Magnetism goes Nano</i>, vol. 26, S. Blügel, T. Brückel, and C. M. Schneider, Eds. Jülich: Forschungszentrum Jülich, 2005, p. D1.1-D1.20."},"place":"Jülich","volume":26,"author":[{"first_name":"Arno","full_name":"Schindlmayr, Arno","id":"458","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X"}],"date_updated":"2022-01-06T06:53:43Z","oa":"1","conference":{"name":"36th Spring School of the Institute of Solid State Research","start_date":"2005-02-14","end_date":"2005-02-25","location":"Jülich"},"main_file_link":[{"open_access":"1","url":"http://hdl.handle.net/2128/560"}],"publication":"Magnetism goes Nano","file":[{"date_updated":"2022-01-06T06:53:43Z","creator":"schindlm","date_created":"2020-08-28T18:50:28Z","title":"Magnetic excitations","description":"© 2005 Forschungszentrum Jülich","file_size":679972,"file_name":"D1-Schindlmayr.pdf","access_level":"request","file_id":"18609","content_type":"application/pdf","relation":"main_file"}],"language":[{"iso":"eng"}],"ddc":["530"],"year":"2005","date_created":"2020-08-28T18:51:20Z","publisher":"Forschungszentrum Jülich","title":"Magnetic excitations"},{"user_id":"458","_id":"18610","extern":"1","file_date_updated":"2020-08-30T16:14:00Z","isi":"1","article_type":"original","type":"journal_article","status":"public","volume":234,"author":[{"full_name":"Hedström, Magnus","last_name":"Hedström","first_name":"Magnus"},{"id":"458","full_name":"Schindlmayr, Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","first_name":"Arno"},{"first_name":"Matthias","last_name":"Scheffler","full_name":"Scheffler, Matthias"}],"date_updated":"2022-11-11T06:52:48Z","doi":"10.1002/1521-3951(200211)234:1%3C346::AID-PSSB346%3E3.0.CO;2-J","publication_identifier":{"issn":["0370-1972"],"eissn":["1521-3951"]},"has_accepted_license":"1","publication_status":"published","intvolume":"       234","page":"346-353","citation":{"apa":"Hedström, M., Schindlmayr, A., &#38; Scheffler, M. (2002). Quasiparticle calculations for point defects on semiconductor surfaces. <i>Physica Status Solidi B</i>, <i>234</i>(1), 346–353. <a href=\"https://doi.org/10.1002/1521-3951(200211)234:1%3C346::AID-PSSB346%3E3.0.CO;2-J\">https://doi.org/10.1002/1521-3951(200211)234:1%3C346::AID-PSSB346%3E3.0.CO;2-J</a>","bibtex":"@article{Hedström_Schindlmayr_Scheffler_2002, title={Quasiparticle calculations for point defects on semiconductor surfaces}, volume={234}, DOI={<a href=\"https://doi.org/10.1002/1521-3951(200211)234:1%3C346::AID-PSSB346%3E3.0.CO;2-J\">10.1002/1521-3951(200211)234:1%3C346::AID-PSSB346%3E3.0.CO;2-J</a>}, number={1}, journal={Physica Status Solidi B}, publisher={Wiley-VCH}, author={Hedström, Magnus and Schindlmayr, Arno and Scheffler, Matthias}, year={2002}, pages={346–353} }","short":"M. Hedström, A. Schindlmayr, M. Scheffler, Physica Status Solidi B 234 (2002) 346–353.","mla":"Hedström, Magnus, et al. “Quasiparticle Calculations for Point Defects on Semiconductor Surfaces.” <i>Physica Status Solidi B</i>, vol. 234, no. 1, Wiley-VCH, 2002, pp. 346–53, doi:<a href=\"https://doi.org/10.1002/1521-3951(200211)234:1%3C346::AID-PSSB346%3E3.0.CO;2-J\">10.1002/1521-3951(200211)234:1%3C346::AID-PSSB346%3E3.0.CO;2-J</a>.","ama":"Hedström M, Schindlmayr A, Scheffler M. Quasiparticle calculations for point defects on semiconductor surfaces. <i>Physica Status Solidi B</i>. 2002;234(1):346-353. doi:<a href=\"https://doi.org/10.1002/1521-3951(200211)234:1%3C346::AID-PSSB346%3E3.0.CO;2-J\">10.1002/1521-3951(200211)234:1%3C346::AID-PSSB346%3E3.0.CO;2-J</a>","ieee":"M. Hedström, A. Schindlmayr, and M. Scheffler, “Quasiparticle calculations for point defects on semiconductor surfaces,” <i>Physica Status Solidi B</i>, vol. 234, no. 1, pp. 346–353, 2002, doi: <a href=\"https://doi.org/10.1002/1521-3951(200211)234:1%3C346::AID-PSSB346%3E3.0.CO;2-J\">10.1002/1521-3951(200211)234:1%3C346::AID-PSSB346%3E3.0.CO;2-J</a>.","chicago":"Hedström, Magnus, Arno Schindlmayr, and Matthias Scheffler. “Quasiparticle Calculations for Point Defects on Semiconductor Surfaces.” <i>Physica Status Solidi B</i> 234, no. 1 (2002): 346–53. <a href=\"https://doi.org/10.1002/1521-3951(200211)234:1%3C346::AID-PSSB346%3E3.0.CO;2-J\">https://doi.org/10.1002/1521-3951(200211)234:1%3C346::AID-PSSB346%3E3.0.CO;2-J</a>."},"external_id":{"isi":["000179600900038"],"arxiv":["cond-mat/0209672"]},"language":[{"iso":"eng"}],"ddc":["530"],"publication":"Physica Status Solidi B","file":[{"relation":"main_file","title":"Quasiparticle calculations for point defects on semiconductor surfaces","description":"© 2002 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim","access_level":"closed","file_id":"18611","date_updated":"2020-08-30T16:14:00Z","date_created":"2020-08-28T21:19:13Z","content_type":"application/pdf","file_size":299285,"file_name":"1521-3951(200211)234 1 346 AID-PSSB346 3.0.CO;2-J.pdf","creator":"schindlm"}],"abstract":[{"lang":"eng","text":"We discuss the implementation of quasiparticle calculations for point defects on semiconductor surfaces and, as a specific example, present an ab initio study of the electronic structure of the As vacancy in the +1 charge state on the GaAs(110) surface. The structural properties are calculated with the plane‐wave pseudopotential method, and the quasiparticle energies are obtained from Hedin's GW approximation. Our calculations show that the 1a″ vacancy state in the band gap is shifted from 0.06 to 0.65 eV above the valence‐band maximum after the self‐energy correction to the Kohn‐Sham eigenvalues. The GW result is in close agreement with a recent surface photovoltage imaging measurement."}],"date_created":"2020-08-28T21:20:32Z","publisher":"Wiley-VCH","title":"Quasiparticle calculations for point defects on semiconductor surfaces","issue":"1","quality_controlled":"1","year":"2002"},{"publication_status":"published","publication_identifier":{"eissn":["1095-3795"],"issn":["0163-1829"]},"has_accepted_license":"1","citation":{"ama":"Schindlmayr A, García-González P, Godby RW. Diagrammatic self-energy approximations and the total particle number. <i>Physical Review B</i>. 2001;64(23). doi:<a href=\"https://doi.org/10.1103/PhysRevB.64.235106\">10.1103/PhysRevB.64.235106</a>","ieee":"A. Schindlmayr, P. García-González, and R. W. Godby, “Diagrammatic self-energy approximations and the total particle number,” <i>Physical Review B</i>, vol. 64, no. 23, Art. no. 235106, 2001, doi: <a href=\"https://doi.org/10.1103/PhysRevB.64.235106\">10.1103/PhysRevB.64.235106</a>.","chicago":"Schindlmayr, Arno, Pablo García-González, and Rex William Godby. “Diagrammatic Self-Energy Approximations and the Total Particle Number.” <i>Physical Review B</i> 64, no. 23 (2001). <a href=\"https://doi.org/10.1103/PhysRevB.64.235106\">https://doi.org/10.1103/PhysRevB.64.235106</a>.","bibtex":"@article{Schindlmayr_García-González_Godby_2001, title={Diagrammatic self-energy approximations and the total particle number}, volume={64}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.64.235106\">10.1103/PhysRevB.64.235106</a>}, number={23235106}, journal={Physical Review B}, publisher={American Physical Society}, author={Schindlmayr, Arno and García-González, Pablo and Godby, Rex William}, year={2001} }","mla":"Schindlmayr, Arno, et al. “Diagrammatic Self-Energy Approximations and the Total Particle Number.” <i>Physical Review B</i>, vol. 64, no. 23, 235106, American Physical Society, 2001, doi:<a href=\"https://doi.org/10.1103/PhysRevB.64.235106\">10.1103/PhysRevB.64.235106</a>.","short":"A. Schindlmayr, P. García-González, R.W. Godby, Physical Review B 64 (2001).","apa":"Schindlmayr, A., García-González, P., &#38; Godby, R. W. (2001). Diagrammatic self-energy approximations and the total particle number. <i>Physical Review B</i>, <i>64</i>(23), Article 235106. <a href=\"https://doi.org/10.1103/PhysRevB.64.235106\">https://doi.org/10.1103/PhysRevB.64.235106</a>"},"intvolume":"        64","author":[{"first_name":"Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno","id":"458"},{"first_name":"Pablo","last_name":"García-González","full_name":"García-González, Pablo"},{"full_name":"Godby, Rex William","last_name":"Godby","first_name":"Rex William"}],"volume":64,"date_updated":"2022-11-11T06:54:19Z","oa":"1","doi":"10.1103/PhysRevB.64.235106","type":"journal_article","status":"public","user_id":"458","_id":"18612","extern":"1","file_date_updated":"2020-08-30T16:15:45Z","isi":"1","article_number":"235106","article_type":"original","issue":"23","quality_controlled":"1","year":"2001","date_created":"2020-08-28T21:21:29Z","publisher":"American Physical Society","title":"Diagrammatic self-energy approximations and the total particle number","publication":"Physical Review B","file":[{"relation":"main_file","content_type":"application/pdf","title":"Diagrammatic self-energy approximations and the total particle number","file_size":90160,"description":"© 2001 American Physical Society","access_level":"open_access","file_id":"18613","file_name":"PhysRevB.64.235106.pdf","date_updated":"2020-08-30T16:15:45Z","creator":"schindlm","date_created":"2020-08-28T21:29:32Z"}],"abstract":[{"text":"There is increasing interest in many-body perturbation theory as a practical tool for the calculation of ground-state properties. As a consequence, unambiguous sum rules such as the conservation of particle number under the influence of the Coulomb interaction have acquired an importance that did not exist for calculations of excited-state properties. In this paper we obtain a rigorous, simple relation whose fulfilment guarantees particle-number conservation in a given diagrammatic self-energy approximation. Hedin’s G0W0 approximation does not satisfy this relation and hence violates the particle-number sum rule. Very precise calculations for the homogeneous electron gas and a model inhomogeneous electron system allow the extent of the nonconservation to be estimated.","lang":"eng"}],"external_id":{"arxiv":["cond-mat/0110435"],"isi":["000172867900050"]},"language":[{"iso":"eng"}],"ddc":["530"]},{"oa":"1","date_updated":"2022-11-11T06:55:14Z","volume":63,"author":[{"first_name":"Krzysztof","last_name":"Tatarczyk","full_name":"Tatarczyk, Krzysztof"},{"orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno","id":"458","first_name":"Arno"},{"last_name":"Scheffler","full_name":"Scheffler, Matthias","first_name":"Matthias"}],"doi":"10.1103/PhysRevB.63.235106","has_accepted_license":"1","publication_identifier":{"issn":["0163-1829"],"eissn":["1095-3795"]},"publication_status":"published","intvolume":"        63","citation":{"apa":"Tatarczyk, K., Schindlmayr, A., &#38; Scheffler, M. (2001). Exchange-correlation kernels for excited states in solids. <i>Physical Review B</i>, <i>63</i>(23), Article 235106. <a href=\"https://doi.org/10.1103/PhysRevB.63.235106\">https://doi.org/10.1103/PhysRevB.63.235106</a>","short":"K. Tatarczyk, A. Schindlmayr, M. Scheffler, Physical Review B 63 (2001).","bibtex":"@article{Tatarczyk_Schindlmayr_Scheffler_2001, title={Exchange-correlation kernels for excited states in solids}, volume={63}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.63.235106\">10.1103/PhysRevB.63.235106</a>}, number={23235106}, journal={Physical Review B}, publisher={American Physical Society}, author={Tatarczyk, Krzysztof and Schindlmayr, Arno and Scheffler, Matthias}, year={2001} }","mla":"Tatarczyk, Krzysztof, et al. “Exchange-Correlation Kernels for Excited States in Solids.” <i>Physical Review B</i>, vol. 63, no. 23, 235106, American Physical Society, 2001, doi:<a href=\"https://doi.org/10.1103/PhysRevB.63.235106\">10.1103/PhysRevB.63.235106</a>.","chicago":"Tatarczyk, Krzysztof, Arno Schindlmayr, and Matthias Scheffler. “Exchange-Correlation Kernels for Excited States in Solids.” <i>Physical Review B</i> 63, no. 23 (2001). <a href=\"https://doi.org/10.1103/PhysRevB.63.235106\">https://doi.org/10.1103/PhysRevB.63.235106</a>.","ieee":"K. Tatarczyk, A. Schindlmayr, and M. Scheffler, “Exchange-correlation kernels for excited states in solids,” <i>Physical Review B</i>, vol. 63, no. 23, Art. no. 235106, 2001, doi: <a href=\"https://doi.org/10.1103/PhysRevB.63.235106\">10.1103/PhysRevB.63.235106</a>.","ama":"Tatarczyk K, Schindlmayr A, Scheffler M. Exchange-correlation kernels for excited states in solids. <i>Physical Review B</i>. 2001;63(23). doi:<a href=\"https://doi.org/10.1103/PhysRevB.63.235106\">10.1103/PhysRevB.63.235106</a>"},"_id":"18615","user_id":"458","article_type":"original","isi":"1","article_number":"235106","file_date_updated":"2020-08-30T16:14:58Z","extern":"1","type":"journal_article","status":"public","publisher":"American Physical Society","date_created":"2020-08-28T21:35:45Z","title":"Exchange-correlation kernels for excited states in solids","quality_controlled":"1","issue":"23","year":"2001","external_id":{"arxiv":["cond-mat/0103357"],"isi":["000169459300035"]},"ddc":["530"],"language":[{"iso":"eng"}],"publication":"Physical Review B","abstract":[{"lang":"eng","text":"The performance of several common approximations for the exchange-correlation kernel within time-dependent density-functional theory is tested for elementary excitations in the homogeneous electron gas. Although the adiabatic local-density approximation gives a reasonably good account of the plasmon dispersion, systematic errors are pointed out and traced to the neglect of the wave-vector dependence. Kernels optimized for atoms are found to perform poorly in extended systems due to an incorrect behavior in the long-wavelength limit, leading to quantitative deviations that significantly exceed the experimental error bars for the plasmon dispersion in the alkali metals."}],"file":[{"content_type":"application/pdf","file_size":257467,"file_name":"PhysRevB.63.235106.pdf","creator":"schindlm","relation":"main_file","title":"Exchange-correlation kernels for excited states in solids","description":"© 2001 American Physical Society","file_id":"18616","access_level":"open_access","date_updated":"2020-08-30T16:14:58Z","date_created":"2020-08-28T21:37:22Z"}]},{"editor":[{"full_name":"Pandalai, S. G.","last_name":"Pandalai","first_name":"S. G."}],"status":"public","type":"book_chapter","extern":"1","_id":"18614","user_id":"458","place":"Trivandrum","citation":{"apa":"Schindlmayr, A. (2001). Self-consistency and vertex corrections beyond the GW approximation. In S. G. Pandalai (Ed.), <i>Recent Research Developments in Physics</i> (Vol. 2, pp. 277–288). Transworld Research Network.","short":"A. Schindlmayr, in: S.G. Pandalai (Ed.), Recent Research Developments in Physics, Transworld Research Network, Trivandrum, 2001, pp. 277–288.","mla":"Schindlmayr, Arno. “Self-Consistency and Vertex Corrections beyond the GW Approximation.” <i>Recent Research Developments in Physics</i>, edited by S. G. Pandalai, vol. 2, Transworld Research Network, 2001, pp. 277–88.","bibtex":"@inbook{Schindlmayr_2001, place={Trivandrum}, title={Self-consistency and vertex corrections beyond the GW approximation}, volume={2}, booktitle={Recent Research Developments in Physics}, publisher={Transworld Research Network}, author={Schindlmayr, Arno}, editor={Pandalai, S. G.}, year={2001}, pages={277–288} }","ama":"Schindlmayr A. Self-consistency and vertex corrections beyond the GW approximation. In: Pandalai SG, ed. <i>Recent Research Developments in Physics</i>. Vol 2. Transworld Research Network; 2001:277-288.","ieee":"A. Schindlmayr, “Self-consistency and vertex corrections beyond the GW approximation,” in <i>Recent Research Developments in Physics</i>, vol. 2, S. G. Pandalai, Ed. Trivandrum: Transworld Research Network, 2001, pp. 277–288.","chicago":"Schindlmayr, Arno. “Self-Consistency and Vertex Corrections beyond the GW Approximation.” In <i>Recent Research Developments in Physics</i>, edited by S. G. Pandalai, 2:277–88. Trivandrum: Transworld Research Network, 2001."},"intvolume":"         2","page":"277-288","publication_status":"published","publication_identifier":{"isbn":["81-7895-024-3"]},"date_updated":"2022-11-11T07:03:12Z","author":[{"orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","id":"458","full_name":"Schindlmayr, Arno","first_name":"Arno"}],"volume":2,"publication":"Recent Research Developments in Physics","language":[{"iso":"eng"}],"external_id":{"arxiv":["cond-mat/0206510"]},"year":"2001","quality_controlled":"1","title":"Self-consistency and vertex corrections beyond the GW approximation","publisher":"Transworld Research Network","date_created":"2020-08-28T21:34:11Z"},{"abstract":[{"lang":"eng","text":"The decay properties of the one-particle Green function in real space and imaginary time are systematically studied for solids. I present an analytic solution for the homogeneous electron gas at finite and at zero temperature as well as asymptotic formulas for real metals and insulators that allow an analytic treatment in electronic-structure calculations based on a space-time representation. The generic dependence of the decay constants on known system parameters is used to compare the scaling of reciprocal-space algorithms for the GW approximation and the space-time method."}],"file":[{"relation":"main_file","description":"© 2000 American Physical Society","title":"Decay properties of the one-particle Green function in real space and imaginary time","access_level":"open_access","file_id":"18618","date_updated":"2020-08-30T16:16:43Z","date_created":"2020-08-28T21:42:25Z","content_type":"application/pdf","file_size":50820,"file_name":"PhysRevB.62.12573.pdf","creator":"schindlm"}],"publication":"Physical Review B","ddc":["530"],"language":[{"iso":"eng"}],"external_id":{"arxiv":["cond-mat/0008399"],"isi":["000165369700003"]},"year":"2000","quality_controlled":"1","issue":"19","title":"Decay properties of the one-particle Green function in real space and imaginary time","publisher":"American Physical Society","date_created":"2020-08-28T21:40:36Z","status":"public","type":"journal_article","isi":"1","article_type":"original","file_date_updated":"2020-08-30T16:16:43Z","extern":"1","_id":"18617","user_id":"458","page":"12573-12576","intvolume":"        62","citation":{"bibtex":"@article{Schindlmayr_2000, title={Decay properties of the one-particle Green function in real space and imaginary time}, volume={62}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.62.12573\">10.1103/PhysRevB.62.12573</a>}, number={19}, journal={Physical Review B}, publisher={American Physical Society}, author={Schindlmayr, Arno}, year={2000}, pages={12573–12576} }","short":"A. Schindlmayr, Physical Review B 62 (2000) 12573–12576.","mla":"Schindlmayr, Arno. “Decay Properties of the One-Particle Green Function in Real Space and Imaginary Time.” <i>Physical Review B</i>, vol. 62, no. 19, American Physical Society, 2000, pp. 12573–76, doi:<a href=\"https://doi.org/10.1103/PhysRevB.62.12573\">10.1103/PhysRevB.62.12573</a>.","apa":"Schindlmayr, A. (2000). Decay properties of the one-particle Green function in real space and imaginary time. <i>Physical Review B</i>, <i>62</i>(19), 12573–12576. <a href=\"https://doi.org/10.1103/PhysRevB.62.12573\">https://doi.org/10.1103/PhysRevB.62.12573</a>","chicago":"Schindlmayr, Arno. “Decay Properties of the One-Particle Green Function in Real Space and Imaginary Time.” <i>Physical Review B</i> 62, no. 19 (2000): 12573–76. <a href=\"https://doi.org/10.1103/PhysRevB.62.12573\">https://doi.org/10.1103/PhysRevB.62.12573</a>.","ieee":"A. Schindlmayr, “Decay properties of the one-particle Green function in real space and imaginary time,” <i>Physical Review B</i>, vol. 62, no. 19, pp. 12573–12576, 2000, doi: <a href=\"https://doi.org/10.1103/PhysRevB.62.12573\">10.1103/PhysRevB.62.12573</a>.","ama":"Schindlmayr A. Decay properties of the one-particle Green function in real space and imaginary time. <i>Physical Review B</i>. 2000;62(19):12573-12576. doi:<a href=\"https://doi.org/10.1103/PhysRevB.62.12573\">10.1103/PhysRevB.62.12573</a>"},"has_accepted_license":"1","publication_identifier":{"eissn":["1095-3795"],"issn":["0163-1829"]},"publication_status":"published","doi":"10.1103/PhysRevB.62.12573","date_updated":"2022-11-11T06:55:58Z","oa":"1","volume":62,"author":[{"last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","id":"458","full_name":"Schindlmayr, Arno","first_name":"Arno"}]},{"external_id":{"arxiv":["physics/9903021"],"isi":["000082980100020"]},"language":[{"iso":"eng"}],"publication":"American Journal of Physics","publisher":"American Institute of Physics","date_created":"2020-08-28T21:44:58Z","title":"Universality of the Hohenberg–Kohn functional","quality_controlled":"1","issue":"10","year":"1999","_id":"18619","user_id":"458","article_type":"letter_note","isi":"1","extern":"1","type":"journal_article","status":"public","date_updated":"2022-11-11T06:56:43Z","author":[{"last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","full_name":"Schindlmayr, Arno","id":"458","first_name":"Arno"}],"volume":67,"doi":"10.1119/1.19156","publication_status":"published","publication_identifier":{"issn":["0002-9505"],"eissn":["1943-2909"]},"citation":{"ama":"Schindlmayr A. Universality of the Hohenberg–Kohn functional. <i>American Journal of Physics</i>. 1999;67(10):933-934. doi:<a href=\"https://doi.org/10.1119/1.19156\">10.1119/1.19156</a>","chicago":"Schindlmayr, Arno. “Universality of the Hohenberg–Kohn Functional.” <i>American Journal of Physics</i> 67, no. 10 (1999): 933–34. <a href=\"https://doi.org/10.1119/1.19156\">https://doi.org/10.1119/1.19156</a>.","ieee":"A. Schindlmayr, “Universality of the Hohenberg–Kohn functional,” <i>American Journal of Physics</i>, vol. 67, no. 10, pp. 933–934, 1999, doi: <a href=\"https://doi.org/10.1119/1.19156\">10.1119/1.19156</a>.","apa":"Schindlmayr, A. (1999). Universality of the Hohenberg–Kohn functional. <i>American Journal of Physics</i>, <i>67</i>(10), 933–934. <a href=\"https://doi.org/10.1119/1.19156\">https://doi.org/10.1119/1.19156</a>","bibtex":"@article{Schindlmayr_1999, title={Universality of the Hohenberg–Kohn functional}, volume={67}, DOI={<a href=\"https://doi.org/10.1119/1.19156\">10.1119/1.19156</a>}, number={10}, journal={American Journal of Physics}, publisher={American Institute of Physics}, author={Schindlmayr, Arno}, year={1999}, pages={933–934} }","short":"A. Schindlmayr, American Journal of Physics 67 (1999) 933–934.","mla":"Schindlmayr, Arno. “Universality of the Hohenberg–Kohn Functional.” <i>American Journal of Physics</i>, vol. 67, no. 10, American Institute of Physics, 1999, pp. 933–34, doi:<a href=\"https://doi.org/10.1119/1.19156\">10.1119/1.19156</a>."},"intvolume":"        67","page":"933-934"},{"quality_controlled":"1","issue":"19","year":"1998","publisher":"American Physical Society","date_created":"2020-08-28T21:52:29Z","title":"Spectra and total energies from self-consistent many-body perturbation theory","publication":"Physical Review B","abstract":[{"text":"With the aim of identifying universal trends, we compare fully self-consistent electronic spectra and total energies obtained from the GW approximation with those from an extended GWΓ scheme that includes a nontrivial vertex function and the fundamentally distinct Bethe-Goldstone approach based on the T matrix. The self-consistent Green’s function G, as derived from Dyson’s equation, is used not only in the self-energy but also to construct the screened interaction W for a model system. For all approximations we observe a similar deterioration of the spectrum, which is not removed by vertex corrections. In particular, satellite peaks are systematically broadened and move closer to the chemical potential. The corresponding total energies are universally raised, independent of the system parameters. Our results, therefore, suggest that any improvement in total energy due to self-consistency, such as for the electron gas in the GW approximation, may be fortuitous.","lang":"eng"}],"file":[{"creator":"schindlm","file_size":151644,"file_name":"PhysRevB.58.12684.pdf","content_type":"application/pdf","date_updated":"2020-08-30T16:21:26Z","date_created":"2020-08-28T21:53:40Z","title":"Spectra and total energies from self-consistent many-body perturbation theory","description":"© 1998 American Physical Society","access_level":"open_access","file_id":"18621","relation":"main_file"}],"external_id":{"isi":["000077295500041"],"arxiv":["cond-mat/9806121"]},"ddc":["530"],"language":[{"iso":"eng"}],"publication_identifier":{"issn":["0163-1829"],"eissn":["1095-3795"]},"has_accepted_license":"1","publication_status":"published","page":"12684-12690","intvolume":"        58","citation":{"apa":"Schindlmayr, A., Pollehn, T. J., &#38; Godby, R. W. (1998). Spectra and total energies from self-consistent many-body perturbation theory. <i>Physical Review B</i>, <i>58</i>(19), 12684–12690. <a href=\"https://doi.org/10.1103/PhysRevB.58.12684\">https://doi.org/10.1103/PhysRevB.58.12684</a>","short":"A. Schindlmayr, T.J. Pollehn, R.W. Godby, Physical Review B 58 (1998) 12684–12690.","mla":"Schindlmayr, Arno, et al. “Spectra and Total Energies from Self-Consistent Many-Body Perturbation Theory.” <i>Physical Review B</i>, vol. 58, no. 19, American Physical Society, 1998, pp. 12684–90, doi:<a href=\"https://doi.org/10.1103/PhysRevB.58.12684\">10.1103/PhysRevB.58.12684</a>.","bibtex":"@article{Schindlmayr_Pollehn_Godby_1998, title={Spectra and total energies from self-consistent many-body perturbation theory}, volume={58}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.58.12684\">10.1103/PhysRevB.58.12684</a>}, number={19}, journal={Physical Review B}, publisher={American Physical Society}, author={Schindlmayr, Arno and Pollehn, Thomas Joachim and Godby, Rex William}, year={1998}, pages={12684–12690} }","ieee":"A. Schindlmayr, T. J. Pollehn, and R. W. Godby, “Spectra and total energies from self-consistent many-body perturbation theory,” <i>Physical Review B</i>, vol. 58, no. 19, pp. 12684–12690, 1998, doi: <a href=\"https://doi.org/10.1103/PhysRevB.58.12684\">10.1103/PhysRevB.58.12684</a>.","chicago":"Schindlmayr, Arno, Thomas Joachim Pollehn, and Rex William Godby. “Spectra and Total Energies from Self-Consistent Many-Body Perturbation Theory.” <i>Physical Review B</i> 58, no. 19 (1998): 12684–90. <a href=\"https://doi.org/10.1103/PhysRevB.58.12684\">https://doi.org/10.1103/PhysRevB.58.12684</a>.","ama":"Schindlmayr A, Pollehn TJ, Godby RW. Spectra and total energies from self-consistent many-body perturbation theory. <i>Physical Review B</i>. 1998;58(19):12684-12690. doi:<a href=\"https://doi.org/10.1103/PhysRevB.58.12684\">10.1103/PhysRevB.58.12684</a>"},"date_updated":"2022-11-11T06:57:30Z","oa":"1","volume":58,"author":[{"first_name":"Arno","id":"458","full_name":"Schindlmayr, Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X"},{"full_name":"Pollehn, Thomas Joachim","last_name":"Pollehn","first_name":"Thomas Joachim"},{"last_name":"Godby","full_name":"Godby, Rex William","first_name":"Rex William"}],"doi":"10.1103/PhysRevB.58.12684","type":"journal_article","status":"public","_id":"18620","user_id":"458","article_type":"original","isi":"1","file_date_updated":"2020-08-30T16:21:26Z","extern":"1"},{"status":"public","type":"journal_article","extern":"1","file_date_updated":"2020-08-30T16:18:20Z","isi":"1","article_type":"original","user_id":"458","_id":"18622","citation":{"ieee":"A. Schindlmayr and R. W. Godby, “Systematic vertex corrections through iterative solution of Hedin’s equations beyond the GW approximation,” <i>Physical Review Letters</i>, vol. 80, no. 8, pp. 1702–1705, 1998, doi: <a href=\"https://doi.org/10.1103/PhysRevLett.80.1702\">10.1103/PhysRevLett.80.1702</a>.","chicago":"Schindlmayr, Arno, and Rex William Godby. “Systematic Vertex Corrections through Iterative Solution of Hedin’s Equations beyond the GW Approximation.” <i>Physical Review Letters</i> 80, no. 8 (1998): 1702–5. <a href=\"https://doi.org/10.1103/PhysRevLett.80.1702\">https://doi.org/10.1103/PhysRevLett.80.1702</a>.","ama":"Schindlmayr A, Godby RW. Systematic vertex corrections through iterative solution of Hedin’s equations beyond the GW approximation. <i>Physical Review Letters</i>. 1998;80(8):1702-1705. doi:<a href=\"https://doi.org/10.1103/PhysRevLett.80.1702\">10.1103/PhysRevLett.80.1702</a>","apa":"Schindlmayr, A., &#38; Godby, R. W. (1998). Systematic vertex corrections through iterative solution of Hedin’s equations beyond the GW approximation. <i>Physical Review Letters</i>, <i>80</i>(8), 1702–1705. <a href=\"https://doi.org/10.1103/PhysRevLett.80.1702\">https://doi.org/10.1103/PhysRevLett.80.1702</a>","bibtex":"@article{Schindlmayr_Godby_1998, title={Systematic vertex corrections through iterative solution of Hedin’s equations beyond the GW approximation}, volume={80}, DOI={<a href=\"https://doi.org/10.1103/PhysRevLett.80.1702\">10.1103/PhysRevLett.80.1702</a>}, number={8}, journal={Physical Review Letters}, publisher={American Physical Society}, author={Schindlmayr, Arno and Godby, Rex William}, year={1998}, pages={1702–1705} }","short":"A. Schindlmayr, R.W. Godby, Physical Review Letters 80 (1998) 1702–1705.","mla":"Schindlmayr, Arno, and Rex William Godby. “Systematic Vertex Corrections through Iterative Solution of Hedin’s Equations beyond the GW Approximation.” <i>Physical Review Letters</i>, vol. 80, no. 8, American Physical Society, 1998, pp. 1702–05, doi:<a href=\"https://doi.org/10.1103/PhysRevLett.80.1702\">10.1103/PhysRevLett.80.1702</a>."},"page":"1702-1705","intvolume":"        80","publication_status":"published","has_accepted_license":"1","publication_identifier":{"issn":["0031-9007"],"eissn":["1079-7114"]},"doi":"10.1103/PhysRevLett.80.1702","author":[{"orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno","id":"458","first_name":"Arno"},{"first_name":"Rex William","last_name":"Godby","full_name":"Godby, Rex William"}],"volume":80,"date_updated":"2022-11-11T06:59:10Z","oa":"1","file":[{"file_id":"18623","access_level":"open_access","file_name":"PhysRevLett.80.1702.pdf","description":"© 1998 American Physical Society","file_size":138164,"title":"Systematic vertex corrections through iterative solution of Hedin's equations beyond the GW approximation","date_created":"2020-08-28T21:56:56Z","creator":"schindlm","date_updated":"2020-08-30T16:18:20Z","relation":"main_file","content_type":"application/pdf"}],"abstract":[{"text":"We present a general procedure for obtaining progressively more accurate functional expressions for the electron self-energy by iterative solution of Hedin's coupled equations. The iterative process starting from Hartree theory, which gives rise to the GW approximation, is continued further, and an explicit formula for the vertex function from the second full cycle is given. Calculated excitation energies for a Hubbard Hamiltonian demonstrate the convergence of the iterative process and provide further strong justification for the GW approximation.","lang":"eng"}],"publication":"Physical Review Letters","language":[{"iso":"eng"}],"ddc":["530"],"external_id":{"isi":["000072117600034"],"arxiv":["cond-mat/9710295"]},"year":"1998","issue":"8","quality_controlled":"1","title":"Systematic vertex corrections through iterative solution of Hedin's equations beyond the GW approximation","date_created":"2020-08-28T21:55:15Z","publisher":"American Physical Society"},{"ddc":["530"],"language":[{"iso":"eng"}],"external_id":{"arxiv":["cond-mat/9711120"],"isi":["000072104000011"]},"abstract":[{"text":"We investigate the performance of the GW approximation by comparison to exact results for small model systems. The role of the chemical potentials in Dyson's equation as well as the consequences of numerical resonance broadening are examined, and we show how a proper treatment can improve computational implementations of many-body perturbation theory in general. Exchange-only and GW calculations are performed over a wide range of fractional band fillings and correlation strengths. We thus identify the physical situations where these schemes are applicable.","lang":"eng"}],"file":[{"relation":"main_file","content_type":"application/pdf","title":"Assessment of the GW approximation using Hubbard chains","description":"© 1998 IOP Publishing Ltd","file_size":226847,"file_name":"Thomas_J_Pollehn_1998_J._Phys. _Condens._Matter_10_011.pdf","access_level":"closed","file_id":"18625","date_updated":"2020-08-30T16:19:49Z","creator":"schindlm","date_created":"2020-08-28T21:59:59Z"}],"publication":"Journal of Physics: Condensed Matter","title":"Assessment of the GW approximation using Hubbard chains","publisher":"IOP Publishing","date_created":"2020-08-28T21:58:46Z","year":"1998","quality_controlled":"1","issue":"6","isi":"1","article_type":"original","file_date_updated":"2020-08-30T16:19:49Z","extern":"1","_id":"18624","user_id":"458","status":"public","type":"journal_article","doi":"10.1088/0953-8984/10/6/011","date_updated":"2022-11-11T06:58:18Z","volume":10,"author":[{"first_name":"Thomas Joachim","full_name":"Pollehn, Thomas Joachim","last_name":"Pollehn"},{"first_name":"Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","id":"458","full_name":"Schindlmayr, Arno"},{"last_name":"Godby","full_name":"Godby, Rex William","first_name":"Rex William"}],"intvolume":"        10","page":"1273-1283","citation":{"chicago":"Pollehn, Thomas Joachim, Arno Schindlmayr, and Rex William Godby. “Assessment of the GW Approximation Using Hubbard Chains.” <i>Journal of Physics: Condensed Matter</i> 10, no. 6 (1998): 1273–83. <a href=\"https://doi.org/10.1088/0953-8984/10/6/011\">https://doi.org/10.1088/0953-8984/10/6/011</a>.","ieee":"T. J. Pollehn, A. Schindlmayr, and R. W. Godby, “Assessment of the GW approximation using Hubbard chains,” <i>Journal of Physics: Condensed Matter</i>, vol. 10, no. 6, pp. 1273–1283, 1998, doi: <a href=\"https://doi.org/10.1088/0953-8984/10/6/011\">10.1088/0953-8984/10/6/011</a>.","ama":"Pollehn TJ, Schindlmayr A, Godby RW. Assessment of the GW approximation using Hubbard chains. <i>Journal of Physics: Condensed Matter</i>. 1998;10(6):1273-1283. doi:<a href=\"https://doi.org/10.1088/0953-8984/10/6/011\">10.1088/0953-8984/10/6/011</a>","short":"T.J. Pollehn, A. Schindlmayr, R.W. Godby, Journal of Physics: Condensed Matter 10 (1998) 1273–1283.","bibtex":"@article{Pollehn_Schindlmayr_Godby_1998, title={Assessment of the GW approximation using Hubbard chains}, volume={10}, DOI={<a href=\"https://doi.org/10.1088/0953-8984/10/6/011\">10.1088/0953-8984/10/6/011</a>}, number={6}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Pollehn, Thomas Joachim and Schindlmayr, Arno and Godby, Rex William}, year={1998}, pages={1273–1283} }","mla":"Pollehn, Thomas Joachim, et al. “Assessment of the GW Approximation Using Hubbard Chains.” <i>Journal of Physics: Condensed Matter</i>, vol. 10, no. 6, IOP Publishing, 1998, pp. 1273–83, doi:<a href=\"https://doi.org/10.1088/0953-8984/10/6/011\">10.1088/0953-8984/10/6/011</a>.","apa":"Pollehn, T. J., Schindlmayr, A., &#38; Godby, R. W. (1998). Assessment of the GW approximation using Hubbard chains. <i>Journal of Physics: Condensed Matter</i>, <i>10</i>(6), 1273–1283. <a href=\"https://doi.org/10.1088/0953-8984/10/6/011\">https://doi.org/10.1088/0953-8984/10/6/011</a>"},"publication_identifier":{"eissn":["1361-648X"],"issn":["0953-8984"]},"has_accepted_license":"1","publication_status":"published"}]