[{"ddc":["530"],"language":[{"iso":"eng"}],"publication":"Magnetism goes Nano","file":[{"file_name":"D1-Schindlmayr.pdf","access_level":"request","file_id":"18609","title":"Magnetic excitations","description":"© 2005 Forschungszentrum Jülich","file_size":679972,"creator":"schindlm","date_created":"2020-08-28T18:50:28Z","date_updated":"2022-01-06T06:53:43Z","relation":"main_file","content_type":"application/pdf"}],"publisher":"Forschungszentrum Jülich","date_created":"2020-08-28T18:51:20Z","title":"Magnetic excitations","year":"2005","_id":"18608","user_id":"458","series_title":"Matter and Materials","extern":"1","file_date_updated":"2022-01-06T06:53:43Z","type":"book_chapter","editor":[{"first_name":"Stefan","last_name":"Blügel","full_name":"Blügel, Stefan"},{"last_name":"Brückel","full_name":"Brückel, Thomas","first_name":"Thomas"},{"full_name":"Schneider, Claus Michael","last_name":"Schneider","first_name":"Claus Michael"}],"status":"public","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":26,"main_file_link":[{"open_access":"1","url":"http://hdl.handle.net/2128/560"}],"conference":{"location":"Jülich","end_date":"2005-02-25","start_date":"2005-02-14","name":"36th Spring School of the Institute of Solid State Research"},"publication_status":"published","publication_identifier":{"issn":["1433-5506"],"isbn":["3-89336-381-5"]},"has_accepted_license":"1","place":"Jülich","citation":{"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.","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.","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.","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.","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."},"intvolume":"        26","page":"D1.1-D1.20"},{"file":[{"relation":"main_file","date_created":"2020-08-28T21:19:13Z","date_updated":"2020-08-30T16:14:00Z","file_id":"18611","access_level":"closed","description":"© 2002 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim","title":"Quasiparticle calculations for point defects on semiconductor surfaces","content_type":"application/pdf","creator":"schindlm","file_name":"1521-3951(200211)234 1 346 AID-PSSB346 3.0.CO;2-J.pdf","file_size":299285}],"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."}],"publication":"Physica Status Solidi B","language":[{"iso":"eng"}],"ddc":["530"],"external_id":{"arxiv":["cond-mat/0209672"],"isi":["000179600900038"]},"year":"2002","issue":"1","quality_controlled":"1","title":"Quasiparticle calculations for point defects on semiconductor surfaces","date_created":"2020-08-28T21:20:32Z","publisher":"Wiley-VCH","status":"public","type":"journal_article","file_date_updated":"2020-08-30T16:14:00Z","extern":"1","isi":"1","article_type":"original","user_id":"458","_id":"18610","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>","short":"M. Hedström, A. Schindlmayr, M. Scheffler, Physica Status Solidi B 234 (2002) 346–353.","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} }","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>.","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>.","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>"},"page":"346-353","intvolume":"       234","publication_status":"published","publication_identifier":{"issn":["0370-1972"],"eissn":["1521-3951"]},"has_accepted_license":"1","doi":"10.1002/1521-3951(200211)234:1%3C346::AID-PSSB346%3E3.0.CO;2-J","author":[{"last_name":"Hedström","full_name":"Hedström, Magnus","first_name":"Magnus"},{"first_name":"Arno","full_name":"Schindlmayr, Arno","id":"458","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X"},{"first_name":"Matthias","last_name":"Scheffler","full_name":"Scheffler, Matthias"}],"volume":234,"date_updated":"2022-11-11T06:52:48Z"},{"publication_identifier":{"eissn":["1095-3795"],"issn":["0163-1829"]},"has_accepted_license":"1","publication_status":"published","intvolume":"        64","citation":{"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>.","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>","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>","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)."},"oa":"1","date_updated":"2022-11-11T06:54:19Z","volume":64,"author":[{"first_name":"Arno","id":"458","full_name":"Schindlmayr, Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr"},{"first_name":"Pablo","full_name":"García-González, Pablo","last_name":"García-González"},{"full_name":"Godby, Rex William","last_name":"Godby","first_name":"Rex William"}],"doi":"10.1103/PhysRevB.64.235106","type":"journal_article","status":"public","_id":"18612","user_id":"458","article_number":"235106","isi":"1","article_type":"original","extern":"1","file_date_updated":"2020-08-30T16:15:45Z","quality_controlled":"1","issue":"23","year":"2001","publisher":"American Physical Society","date_created":"2020-08-28T21:21:29Z","title":"Diagrammatic self-energy approximations and the total particle number","publication":"Physical Review B","abstract":[{"lang":"eng","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."}],"file":[{"title":"Diagrammatic self-energy approximations and the total particle number","description":"© 2001 American Physical Society","file_size":90160,"access_level":"open_access","file_name":"PhysRevB.64.235106.pdf","file_id":"18613","date_updated":"2020-08-30T16:15:45Z","creator":"schindlm","date_created":"2020-08-28T21:29:32Z","relation":"main_file","content_type":"application/pdf"}],"external_id":{"isi":["000172867900050"],"arxiv":["cond-mat/0110435"]},"ddc":["530"],"language":[{"iso":"eng"}]},{"publication_status":"published","publication_identifier":{"eissn":["1095-3795"],"issn":["0163-1829"]},"has_accepted_license":"1","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>","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} }","short":"K. Tatarczyk, A. Schindlmayr, M. Scheffler, Physical Review B 63 (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>.","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>","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>.","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>."},"intvolume":"        63","author":[{"full_name":"Tatarczyk, Krzysztof","last_name":"Tatarczyk","first_name":"Krzysztof"},{"full_name":"Schindlmayr, Arno","id":"458","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","first_name":"Arno"},{"first_name":"Matthias","full_name":"Scheffler, Matthias","last_name":"Scheffler"}],"volume":63,"oa":"1","date_updated":"2022-11-11T06:55:14Z","doi":"10.1103/PhysRevB.63.235106","type":"journal_article","status":"public","user_id":"458","_id":"18615","extern":"1","file_date_updated":"2020-08-30T16:14:58Z","article_type":"original","isi":"1","article_number":"235106","issue":"23","quality_controlled":"1","year":"2001","date_created":"2020-08-28T21:35:45Z","publisher":"American Physical Society","title":"Exchange-correlation kernels for excited states in solids","publication":"Physical Review B","file":[{"relation":"main_file","description":"© 2001 American Physical Society","title":"Exchange-correlation kernels for excited states in solids","file_id":"18616","access_level":"open_access","date_updated":"2020-08-30T16:14:58Z","date_created":"2020-08-28T21:37:22Z","content_type":"application/pdf","file_size":257467,"file_name":"PhysRevB.63.235106.pdf","creator":"schindlm"}],"abstract":[{"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.","lang":"eng"}],"external_id":{"arxiv":["cond-mat/0103357"],"isi":["000169459300035"]},"language":[{"iso":"eng"}],"ddc":["530"]},{"extern":"1","_id":"18614","user_id":"458","editor":[{"full_name":"Pandalai, S. G.","last_name":"Pandalai","first_name":"S. G."}],"status":"public","type":"book_chapter","date_updated":"2022-11-11T07:03:12Z","author":[{"full_name":"Schindlmayr, Arno","id":"458","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","first_name":"Arno"}],"volume":2,"place":"Trivandrum","citation":{"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.","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.","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.","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.","short":"A. Schindlmayr, in: S.G. Pandalai (Ed.), Recent Research Developments in Physics, Transworld Research Network, Trivandrum, 2001, pp. 277–288.","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} }"},"intvolume":"         2","page":"277-288","publication_status":"published","publication_identifier":{"isbn":["81-7895-024-3"]},"language":[{"iso":"eng"}],"external_id":{"arxiv":["cond-mat/0206510"]},"publication":"Recent Research Developments in Physics","title":"Self-consistency and vertex corrections beyond the GW approximation","publisher":"Transworld Research Network","date_created":"2020-08-28T21:34:11Z","year":"2001","quality_controlled":"1"},{"type":"journal_article","status":"public","user_id":"458","_id":"18617","extern":"1","file_date_updated":"2020-08-30T16:16:43Z","isi":"1","article_type":"original","publication_identifier":{"eissn":["1095-3795"],"issn":["0163-1829"]},"has_accepted_license":"1","publication_status":"published","page":"12573-12576","intvolume":"        62","citation":{"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>","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>","short":"A. Schindlmayr, Physical Review B 62 (2000) 12573–12576.","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} }","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>."},"volume":62,"author":[{"orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno","id":"458","first_name":"Arno"}],"date_updated":"2022-11-11T06:55:58Z","oa":"1","doi":"10.1103/PhysRevB.62.12573","publication":"Physical Review B","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","relation":"main_file","file_size":50820,"file_name":"PhysRevB.62.12573.pdf","creator":"schindlm","content_type":"application/pdf"}],"abstract":[{"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.","lang":"eng"}],"external_id":{"arxiv":["cond-mat/0008399"],"isi":["000165369700003"]},"language":[{"iso":"eng"}],"ddc":["530"],"issue":"19","quality_controlled":"1","year":"2000","date_created":"2020-08-28T21:40:36Z","publisher":"American Physical Society","title":"Decay properties of the one-particle Green function in real space and imaginary time"},{"intvolume":"        67","page":"933-934","citation":{"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>","short":"A. Schindlmayr, American Journal of Physics 67 (1999) 933–934.","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} }","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>.","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>","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>.","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>."},"publication_identifier":{"eissn":["1943-2909"],"issn":["0002-9505"]},"publication_status":"published","doi":"10.1119/1.19156","volume":67,"author":[{"id":"458","full_name":"Schindlmayr, Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","first_name":"Arno"}],"date_updated":"2022-11-11T06:56:43Z","status":"public","type":"journal_article","extern":"1","article_type":"letter_note","isi":"1","user_id":"458","_id":"18619","year":"1999","issue":"10","quality_controlled":"1","title":"Universality of the Hohenberg–Kohn functional","date_created":"2020-08-28T21:44:58Z","publisher":"American Institute of Physics","publication":"American Journal of Physics","language":[{"iso":"eng"}],"external_id":{"isi":["000082980100020"],"arxiv":["physics/9903021"]}},{"title":"Spectra and total energies from self-consistent many-body perturbation theory","publisher":"American Physical Society","date_created":"2020-08-28T21:52:29Z","year":"1998","quality_controlled":"1","issue":"19","ddc":["530"],"language":[{"iso":"eng"}],"external_id":{"isi":["000077295500041"],"arxiv":["cond-mat/9806121"]},"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":[{"content_type":"application/pdf","creator":"schindlm","file_name":"PhysRevB.58.12684.pdf","file_size":151644,"relation":"main_file","date_created":"2020-08-28T21:53:40Z","date_updated":"2020-08-30T16:21:26Z","access_level":"open_access","file_id":"18621","title":"Spectra and total energies from self-consistent many-body perturbation theory","description":"© 1998 American Physical Society"}],"publication":"Physical Review B","doi":"10.1103/PhysRevB.58.12684","oa":"1","date_updated":"2022-11-11T06:57:30Z","author":[{"orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno","id":"458","first_name":"Arno"},{"last_name":"Pollehn","full_name":"Pollehn, Thomas Joachim","first_name":"Thomas Joachim"},{"last_name":"Godby","full_name":"Godby, Rex William","first_name":"Rex William"}],"volume":58,"citation":{"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>","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>.","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>.","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>","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} }","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>."},"page":"12684-12690","intvolume":"        58","publication_status":"published","publication_identifier":{"issn":["0163-1829"],"eissn":["1095-3795"]},"has_accepted_license":"1","isi":"1","article_type":"original","file_date_updated":"2020-08-30T16:21:26Z","extern":"1","_id":"18620","user_id":"458","status":"public","type":"journal_article"},{"abstract":[{"lang":"eng","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."}],"file":[{"relation":"main_file","content_type":"application/pdf","title":"Systematic vertex corrections through iterative solution of Hedin's equations beyond the GW approximation","description":"© 1998 American Physical Society","file_size":138164,"access_level":"open_access","file_id":"18623","file_name":"PhysRevLett.80.1702.pdf","date_updated":"2020-08-30T16:18:20Z","creator":"schindlm","date_created":"2020-08-28T21:56:56Z"}],"publication":"Physical Review Letters","ddc":["530"],"language":[{"iso":"eng"}],"external_id":{"arxiv":["cond-mat/9710295"],"isi":["000072117600034"]},"year":"1998","quality_controlled":"1","issue":"8","title":"Systematic vertex corrections through iterative solution of Hedin's equations beyond the GW approximation","publisher":"American Physical Society","date_created":"2020-08-28T21:55:15Z","status":"public","type":"journal_article","isi":"1","article_type":"original","extern":"1","file_date_updated":"2020-08-30T16:18:20Z","_id":"18622","user_id":"458","page":"1702-1705","intvolume":"        80","citation":{"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>","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>.","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>","short":"A. Schindlmayr, R.W. Godby, Physical Review Letters 80 (1998) 1702–1705.","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} }","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>."},"has_accepted_license":"1","publication_identifier":{"eissn":["1079-7114"],"issn":["0031-9007"]},"publication_status":"published","doi":"10.1103/PhysRevLett.80.1702","date_updated":"2022-11-11T06:59:10Z","oa":"1","volume":80,"author":[{"full_name":"Schindlmayr, Arno","id":"458","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","first_name":"Arno"},{"full_name":"Godby, Rex William","last_name":"Godby","first_name":"Rex William"}]},{"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","ddc":["530"],"language":[{"iso":"eng"}],"external_id":{"arxiv":["cond-mat/9711120"],"isi":["000072104000011"]},"abstract":[{"lang":"eng","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."}],"file":[{"date_updated":"2020-08-30T16:19:49Z","date_created":"2020-08-28T21:59:59Z","creator":"schindlm","file_size":226847,"description":"© 1998 IOP Publishing Ltd","title":"Assessment of the GW approximation using Hubbard chains","file_id":"18625","file_name":"Thomas_J_Pollehn_1998_J._Phys. _Condens._Matter_10_011.pdf","access_level":"closed","content_type":"application/pdf","relation":"main_file"}],"publication":"Journal of Physics: Condensed Matter","doi":"10.1088/0953-8984/10/6/011","date_updated":"2022-11-11T06:58:18Z","author":[{"first_name":"Thomas Joachim","full_name":"Pollehn, Thomas Joachim","last_name":"Pollehn"},{"first_name":"Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","full_name":"Schindlmayr, Arno","id":"458"},{"full_name":"Godby, Rex William","last_name":"Godby","first_name":"Rex William"}],"volume":10,"citation":{"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>","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>.","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>.","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>"},"page":"1273-1283","intvolume":"        10","publication_status":"published","has_accepted_license":"1","publication_identifier":{"issn":["0953-8984"],"eissn":["1361-648X"]},"article_type":"original","isi":"1","extern":"1","file_date_updated":"2020-08-30T16:19:49Z","_id":"18624","user_id":"458","status":"public","type":"journal_article"},{"status":"public","type":"journal_article","extern":"1","file_date_updated":"2020-08-30T16:24:01Z","article_type":"original","user_id":"458","_id":"18626","citation":{"mla":"Schindlmayr, Arno. “Excitons with Anisotropic Effective Mass.” <i>European Journal of Physics</i>, vol. 18, no. 5, IOP Publishing and The European Physical Society, 1997, pp. 374–76, doi:<a href=\"https://doi.org/10.1088/0143-0807/18/5/011\">10.1088/0143-0807/18/5/011</a>.","short":"A. Schindlmayr, European Journal of Physics 18 (1997) 374–376.","bibtex":"@article{Schindlmayr_1997, title={Excitons with anisotropic effective mass}, volume={18}, DOI={<a href=\"https://doi.org/10.1088/0143-0807/18/5/011\">10.1088/0143-0807/18/5/011</a>}, number={5}, journal={European Journal of Physics}, publisher={IOP Publishing and The European Physical Society}, author={Schindlmayr, Arno}, year={1997}, pages={374–376} }","apa":"Schindlmayr, A. (1997). Excitons with anisotropic effective mass. <i>European Journal of Physics</i>, <i>18</i>(5), 374–376. <a href=\"https://doi.org/10.1088/0143-0807/18/5/011\">https://doi.org/10.1088/0143-0807/18/5/011</a>","chicago":"Schindlmayr, Arno. “Excitons with Anisotropic Effective Mass.” <i>European Journal of Physics</i> 18, no. 5 (1997): 374–76. <a href=\"https://doi.org/10.1088/0143-0807/18/5/011\">https://doi.org/10.1088/0143-0807/18/5/011</a>.","ieee":"A. Schindlmayr, “Excitons with anisotropic effective mass,” <i>European Journal of Physics</i>, vol. 18, no. 5, pp. 374–376, 1997, doi: <a href=\"https://doi.org/10.1088/0143-0807/18/5/011\">10.1088/0143-0807/18/5/011</a>.","ama":"Schindlmayr A. Excitons with anisotropic effective mass. <i>European Journal of Physics</i>. 1997;18(5):374-376. doi:<a href=\"https://doi.org/10.1088/0143-0807/18/5/011\">10.1088/0143-0807/18/5/011</a>"},"intvolume":"        18","page":"374-376","publication_status":"published","publication_identifier":{"issn":["0143-0807"],"eissn":["1361-6404"]},"has_accepted_license":"1","doi":"10.1088/0143-0807/18/5/011","author":[{"first_name":"Arno","id":"458","full_name":"Schindlmayr, Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr"}],"volume":18,"date_updated":"2022-11-11T07:00:05Z","file":[{"creator":"schindlm","file_name":"Arno_Schindlmayr_1997_Eur._J._Phys._18_011.pdf","file_size":145493,"content_type":"application/pdf","date_created":"2020-08-28T22:05:27Z","date_updated":"2020-08-30T16:24:01Z","access_level":"closed","file_id":"18627","title":"Excitons with anisotropic effective mass","description":"© 1997 IOP Publishing Ltd and The European Physical Society","relation":"main_file"}],"abstract":[{"text":"We present a simple analytic scheme for calculating the binding energy of excitons in semiconductors that takes full account of the existing anisotropy in the effective mass, as a complement to the qualitative treatment in most textbooks. Results obtained for excitons in gallium nitride form the basis for a discussion of the accuracy of this approach.","lang":"eng"},{"text":"Wir präsentieren ein einfaches analytisches Verfahren zur Berechnung der Bindungsenergie von Exzitonen in Halbleitern, das die vorhandene Anisotropie in der effektiven Masse vollständig miteinbezieht, in Ergänzung zu der qualitativen Betrachtung in den meisten Lehrbüchern. Ergebnisse für Exzitonen in Galliumnitrid bilden die Grundlage für eine Diskussion der Genauigkeit dieser Methode.","lang":"ger"}],"publication":"European Journal of Physics","language":[{"iso":"eng"}],"ddc":["530"],"external_id":{"arxiv":["physics/9709036"]},"year":"1997","issue":"5","quality_controlled":"1","title":"Excitons with anisotropic effective mass","date_created":"2020-08-28T22:03:49Z","publisher":"IOP Publishing and The European Physical Society"},{"abstract":[{"text":"We present a nontrivial model system of interacting electrons that can be solved analytically in the GW approximation. We obtain the particle number from the GW Green’s function strictly analytically, and prove that there is a genuine violation of particle number conservation if the self-energy is calculated non-self-consistently from a zeroth order Green’s function, as done in virtually all practical implementations. We also show that a simple shift of the self-energy that partially restores self-consistency reduces the numerical deviation significantly.","lang":"eng"}],"file":[{"file_name":"PhysRevB.56.3528.pdf","access_level":"open_access","file_id":"18629","title":"Violation of particle number conservation in the GW approximation","description":"© 1997 American Physical Society","file_size":93337,"creator":"schindlm","date_created":"2020-08-28T22:08:35Z","date_updated":"2020-08-30T16:26:32Z","relation":"main_file","content_type":"application/pdf"}],"publication":"Physical Review B","ddc":["530"],"language":[{"iso":"eng"}],"external_id":{"arxiv":["cond-mat/9709275"],"isi":["A1997XR96400004"]},"year":"1997","quality_controlled":"1","issue":"7","title":"Violation of particle number conservation in the GW approximation","publisher":"American Physical Society","date_created":"2020-08-28T22:07:22Z","status":"public","type":"journal_article","isi":"1","article_type":"original","extern":"1","file_date_updated":"2020-08-30T16:26:32Z","_id":"18628","user_id":"458","page":"3528-3531","intvolume":"        56","citation":{"apa":"Schindlmayr, A. (1997). Violation of particle number conservation in the GW approximation. <i>Physical Review B</i>, <i>56</i>(7), 3528–3531. <a href=\"https://doi.org/10.1103/PhysRevB.56.3528\">https://doi.org/10.1103/PhysRevB.56.3528</a>","mla":"Schindlmayr, Arno. “Violation of Particle Number Conservation in the GW Approximation.” <i>Physical Review B</i>, vol. 56, no. 7, American Physical Society, 1997, pp. 3528–31, doi:<a href=\"https://doi.org/10.1103/PhysRevB.56.3528\">10.1103/PhysRevB.56.3528</a>.","bibtex":"@article{Schindlmayr_1997, title={Violation of particle number conservation in the GW approximation}, volume={56}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.56.3528\">10.1103/PhysRevB.56.3528</a>}, number={7}, journal={Physical Review B}, publisher={American Physical Society}, author={Schindlmayr, Arno}, year={1997}, pages={3528–3531} }","short":"A. Schindlmayr, Physical Review B 56 (1997) 3528–3531.","ama":"Schindlmayr A. Violation of particle number conservation in the GW approximation. <i>Physical Review B</i>. 1997;56(7):3528-3531. doi:<a href=\"https://doi.org/10.1103/PhysRevB.56.3528\">10.1103/PhysRevB.56.3528</a>","ieee":"A. Schindlmayr, “Violation of particle number conservation in the GW approximation,” <i>Physical Review B</i>, vol. 56, no. 7, pp. 3528–3531, 1997, doi: <a href=\"https://doi.org/10.1103/PhysRevB.56.3528\">10.1103/PhysRevB.56.3528</a>.","chicago":"Schindlmayr, Arno. “Violation of Particle Number Conservation in the GW Approximation.” <i>Physical Review B</i> 56, no. 7 (1997): 3528–31. <a href=\"https://doi.org/10.1103/PhysRevB.56.3528\">https://doi.org/10.1103/PhysRevB.56.3528</a>."},"publication_identifier":{"issn":["0163-1829"],"eissn":["1095-3795"]},"has_accepted_license":"1","publication_status":"published","doi":"10.1103/PhysRevB.56.3528","date_updated":"2022-11-11T07:00:49Z","oa":"1","volume":56,"author":[{"first_name":"Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno","id":"458"}]},{"user_id":"458","_id":"18630","extern":"1","file_date_updated":"2020-08-30T16:27:22Z","isi":"1","article_type":"original","type":"journal_article","status":"public","author":[{"first_name":"Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno","id":"458"},{"first_name":"Rex William","full_name":"Godby, Rex William","last_name":"Godby"}],"volume":51,"oa":"1","date_updated":"2022-11-11T07:01:30Z","doi":"10.1103/PhysRevB.51.10427","publication_status":"published","has_accepted_license":"1","publication_identifier":{"eissn":["1095-3795"],"issn":["0163-1829"]},"pmid":"1","citation":{"bibtex":"@article{Schindlmayr_Godby_1995, title={Density-functional theory and the v-representability problem for model strongly correlated electron systems}, volume={51}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.51.10427\">10.1103/PhysRevB.51.10427</a>}, number={16}, journal={Physical Review B}, publisher={American Physical Society}, author={Schindlmayr, Arno and Godby, Rex William}, year={1995}, pages={10427–10435} }","short":"A. Schindlmayr, R.W. Godby, Physical Review B 51 (1995) 10427–10435.","mla":"Schindlmayr, Arno, and Rex William Godby. “Density-Functional Theory and the v-Representability Problem for Model Strongly Correlated Electron Systems.” <i>Physical Review B</i>, vol. 51, no. 16, American Physical Society, 1995, pp. 10427–35, doi:<a href=\"https://doi.org/10.1103/PhysRevB.51.10427\">10.1103/PhysRevB.51.10427</a>.","apa":"Schindlmayr, A., &#38; Godby, R. W. (1995). Density-functional theory and the v-representability problem for model strongly correlated electron systems. <i>Physical Review B</i>, <i>51</i>(16), 10427–10435. <a href=\"https://doi.org/10.1103/PhysRevB.51.10427\">https://doi.org/10.1103/PhysRevB.51.10427</a>","ama":"Schindlmayr A, Godby RW. Density-functional theory and the v-representability problem for model strongly correlated electron systems. <i>Physical Review B</i>. 1995;51(16):10427-10435. doi:<a href=\"https://doi.org/10.1103/PhysRevB.51.10427\">10.1103/PhysRevB.51.10427</a>","chicago":"Schindlmayr, Arno, and Rex William Godby. “Density-Functional Theory and the v-Representability Problem for Model Strongly Correlated Electron Systems.” <i>Physical Review B</i> 51, no. 16 (1995): 10427–35. <a href=\"https://doi.org/10.1103/PhysRevB.51.10427\">https://doi.org/10.1103/PhysRevB.51.10427</a>.","ieee":"A. Schindlmayr and R. W. Godby, “Density-functional theory and the v-representability problem for model strongly correlated electron systems,” <i>Physical Review B</i>, vol. 51, no. 16, pp. 10427–10435, 1995, doi: <a href=\"https://doi.org/10.1103/PhysRevB.51.10427\">10.1103/PhysRevB.51.10427</a>."},"page":"10427-10435","intvolume":"        51","external_id":{"pmid":["9977737"],"isi":["A1995QW28400017"],"arxiv":["cond-mat/9709266"]},"language":[{"iso":"eng"}],"ddc":["530"],"publication":"Physical Review B","file":[{"content_type":"application/pdf","creator":"schindlm","file_size":541229,"file_name":"PhysRevB.51.10427.pdf","relation":"main_file","date_updated":"2020-08-30T16:27:22Z","date_created":"2020-08-28T22:11:01Z","description":"© 1995 American Physical Society","title":"Density-functional theory and the v-representability problem for model strongly correlated electron systems","access_level":"open_access","file_id":"18631"}],"abstract":[{"text":"Inspired by earlier work on the band-gap problem in insulators, we reexamine the treatment of strongly correlated Hubbard-type models within density-functional theory. In contrast to previous studies, the density is fully parametrized by occupation numbers and overlap of orbitals centered at neighboring atomic sites, as is the local potential by the hopping matrix. This corresponds to a good formal agreement between density-functional theory in real space and second quantization. It is shown that density-functional theory is formally applicable to such systems and the theoretical framework is provided. The question of noninteracting v representability is studied numerically for finite one-dimnsional clusters, for which exact results are available, and qualitatively for infinite systems. This leads to the conclusion that the electron density corresponding to interacting systems of the type studied here is in fact not noninteracting v representable because the Kohn-Sham electrons are unable to reproduce the correlation-induced localization correctly.","lang":"eng"}],"date_created":"2020-08-28T22:09:57Z","publisher":"American Physical Society","title":"Density-functional theory and the v-representability problem for model strongly correlated electron systems","issue":"16","quality_controlled":"1","year":"1995"}]