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66 Publications


2024 | Journal Article | LibreCat-ID: 52723 | OA
M. T. Meyer and A. Schindlmayr, “Derivation of Miller’s rule for the nonlinear optical susceptibility of a quantum anharmonic oscillator,” Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 57, no. 9, Art. no. 095001, 2024, doi: 10.1088/1361-6455/ad369c.
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2022 | Book Chapter | LibreCat-ID: 30288
F. Schmidt, A. L. Kozub, U. Gerstmann, W. G. Schmidt, and A. Schindlmayr, “Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response,” in New Trends in Lithium Niobate: From Bulk to Nanocrystals, G. Corradi and L. Kovács, Eds. Basel: MDPI, 2022, pp. 231–248.
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2022 | Journal Article | LibreCat-ID: 26627 | OA
S. Neufeld, A. Schindlmayr, and W. G. Schmidt, “Quasiparticle energies and optical response of RbTiOPO4 and KTiOAsO4,” Journal of Physics: Materials, vol. 5, no. 1, Art. no. 015002, 2022, doi: 10.1088/2515-7639/ac3384.
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2022 | Book Chapter | LibreCat-ID: 29808
A. Schindlmayr, “Programmierung und Computersimulationen,” in Kompetent Prüfungen gestalten: 60 Prüfungsformate für die Hochschullehre, 2nd ed., J. Gerick, A. Sommer, and G. Zimmermann, Eds. Münster: Waxmann, 2022, pp. 270–274.
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2022 | Journal Article | LibreCat-ID: 44088 | OA
F. Schmidt, A. L. Kozub, U. Gerstmann, W. G. Schmidt, and A. Schindlmayr, “A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate,” Crystals, vol. 12, no. 11, Art. no. 1586, 2022, doi: 10.3390/cryst12111586.
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2021 | Journal Article | LibreCat-ID: 21946 | OA
F. Schmidt, A. L. Kozub, U. Gerstmann, W. G. Schmidt, and A. Schindlmayr, “Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response,” Crystals, vol. 11, p. 542, 2021, doi: 10.3390/cryst11050542.
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2021 | Journal Article | LibreCat-ID: 22960 | OA
N. Bidaraguppe Ramesh, F. Schmidt, and A. Schindlmayr, “Lattice parameters and electronic band gap of orthorhombic potassium sodium niobate K0.5Na0.5NbO3 from density-functional theory,” The European Physical Journal B, vol. 94, no. 8, Art. no. 169, 2021, doi: 10.1140/epjb/s10051-021-00179-8.
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2021 | Journal Article | LibreCat-ID: 22761 | OA
C. Friedrich, S. Blügel, and A. Schindlmayr, “Erratum: Efficient implementation of the GW approximation within the all-electron FLAPW method [Phys. Rev. B 81, 125102 (2010)],” Physical Review B, vol. 104, no. 3, Art. no. 039901, 2021, doi: 10.1103/PhysRevB.104.039901.
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2021 | Journal Article | LibreCat-ID: 23418 | OA
A. L. Kozub, A. Schindlmayr, U. Gerstmann, and W. G. Schmidt, “Polaronic enhancement of second-harmonic generation in lithium niobate,” Physical Review B, vol. 104, p. 174110, 2021, doi: 10.1103/PhysRevB.104.174110.
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2020 | Journal Article | LibreCat-ID: 19190 | OA
F. Schmidt et al., “Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations,” Physical Review Research, vol. 2, no. 4, Art. no. 043002, 2020, doi: 10.1103/PhysRevResearch.2.043002.
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2019 | Journal Article | LibreCat-ID: 10014 | OA
F. Schmidt et al., “Quasiparticle and excitonic effects in the optical response of KNbO3,” Physical Review Materials, vol. 3, no. 5, Art. no. 054401, 2019, doi: 10.1103/PhysRevMaterials.3.054401.
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2019 | Journal Article | LibreCat-ID: 13365 | OA
S. Neufeld, A. Bocchini, U. Gerstmann, A. Schindlmayr, and W. G. Schmidt, “Potassium titanyl phosphate (KTP) quasiparticle energies and optical response,” Journal of Physics: Materials, vol. 2, p. 045003, 2019, doi: 10.1088/2515-7639/ab29ba.
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2018 | Journal Article | LibreCat-ID: 18466 | OA
A. Schindlmayr, “Exact formulation of the transverse dynamic spin susceptibility as an initial-value problem,” Advances in Mathematical Physics, vol. 2018, 2018.
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2018 | Journal Article | LibreCat-ID: 13410 | OA
M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Erratum: Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory [Phys. Rev. Materials 1, 034401 (2017)],” Physical Review Materials, vol. 2, no. 1, 2018.
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2017 | Journal Article | LibreCat-ID: 7481
A. Riefer et al., “Zn–VI quasiparticle gaps and optical spectra from many-body calculations,” Journal of Physics: Condensed Matter, vol. 29, no. 21, 2017.
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2017 | Journal Article | LibreCat-ID: 13416 | OA
M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory,” Physical Review Materials, vol. 1, no. 5, 2017.
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2017 | Journal Article | LibreCat-ID: 10021 | OA
M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory,” Physical Review Materials, vol. 1, no. 3, 2017.
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2017 | Journal Article | LibreCat-ID: 10023 | OA
F. Schmidt et al., “Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory,” Advances in Materials Science and Engineering, vol. 2017, 2017.
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2016 | Journal Article | LibreCat-ID: 10024 | OA
A. Riefer, M. Friedrich, S. Sanna, U. Gerstmann, A. Schindlmayr, and W. G. Schmidt, “LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects,” Physical Review B, vol. 93, no. 7, 2016.
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2016 | Journal Article | LibreCat-ID: 10025
M. Friedrich, A. Schindlmayr, W. G. Schmidt, and S. Sanna, “LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles,” Physica Status Solidi B, vol. 253, no. 4, pp. 683–689, 2016.
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2015 | Journal Article | LibreCat-ID: 10030
M. Friedrich, A. Riefer, S. Sanna, W. G. Schmidt, and A. Schindlmayr, “Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory,” Journal of Physics: Condensed Matter, vol. 27, no. 38, 2015.
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2015 | Journal Article | LibreCat-ID: 18470 | OA
M. Bouhassoune and A. Schindlmayr, “Ab initio study of strain effects on the quasiparticle bands and effective masses in silicon,” Advances in Condensed Matter Physics, vol. 2015, Art. no. 453125, 2015, doi: 10.1155/2015/453125.
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2014 | Book Chapter | LibreCat-ID: 18471
C. Friedrich, E. Şaşıoğlu, M. Müller, A. Schindlmayr, and S. Blügel, “Spin excitations in solids from many-body perturbation theory,” in First Principles Approaches to Spectroscopic Properties of Complex Materials, vol. 347, C. Di Valentin, S. Botti, and M. Cococcioni, Eds. Berlin, Heidelberg: Springer, 2014, pp. 259–301.
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2014 | Book Chapter | LibreCat-ID: 18472
A. Schindlmayr, “The GW approximation for the electronic self-energy,” in Many-Electron Approaches in Physics, Chemistry and Mathematics, vol. 29, V. Bach and L. Delle Site, Eds. Cham: Springer, 2014, pp. 343–357.
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2014 | Journal Article | LibreCat-ID: 18473
S. Yanagisawa, Y. Morikawa, and A. Schindlmayr, “Theoretical investigation of the band structure of picene single crystals within the GW approximation,” Japanese Journal of Applied Physics, vol. 53, no. 5S1, 2014.
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2014 | Book Chapter | LibreCat-ID: 18474 | OA
C. Friedrich and A. Schindlmayr, “Many-body perturbation theory: The GW approximation,” in Computing Solids: Models, ab initio Methods and Supercomputing, vol. 74, S. Blügel, N. Helbig, V. Meden, and D. Wortmann, Eds. Jülich: Forschungszentrum Jülich, 2014, p. A4.1-A4.21.
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2013 | Book Chapter | LibreCat-ID: 18475
A. Riefer et al., “Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations,” in High Performance Computing in Science and Engineering ‘13, W. E. Nagel, D. H. Kröner, and M. M. Resch, Eds. Cham: Springer, 2013, pp. 93–104.
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2013 | Journal Article | LibreCat-ID: 18476 | OA
S. Yanagisawa, Y. Morikawa, and A. Schindlmayr, “HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections within the GW approximation,” Physical Review B, vol. 88, no. 11, 2013.
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2013 | Journal Article | LibreCat-ID: 13525 | OA
A. Riefer, S. Sanna, A. Schindlmayr, and W. G. Schmidt, “Optical response of stoichiometric and congruent lithium niobate from first-principles calculations,” Physical Review B, vol. 87, no. 19, 2013.
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2013 | Journal Article | LibreCat-ID: 18479 | OA
A. Schindlmayr, “Analytic evaluation of the electronic self-energy in the GW approximation for two electrons on a sphere,” Physical Review B, vol. 87, no. 7, Art. no. 075104, 2013, doi: 10.1103/PhysRevB.87.075104.
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2012 | Journal Article | LibreCat-ID: 18542
C. Friedrich, M. Betzinger, M. Schlipf, S. Blügel, and A. Schindlmayr, “Hybrid functionals and GW approximation in the FLAPW method,” Journal of Physics: Condensed Matter, vol. 24, no. 29, 2012.
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2011 | Journal Article | LibreCat-ID: 4091
M. Wand, A. Schindlmayr, T. Meier, and J. Förstner, “Simulation of the ultrafast nonlinear optical response of metal slabs,” Physica Status Solidi B, vol. 248, no. 4, pp. 887–891, 2011, doi: 10.1002/pssb.201001219.
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2011 | Conference Paper | LibreCat-ID: 4048
M. Wand, A. Schindlmayr, T. Meier, and J. Förstner, “Theoretical approach to the ultrafast nonlinear optical response of metal slabs,” presented at the Conference on Lasers and Electro-Optics 2011, Baltimore, Maryland, United States, 2011, doi: 10.1364/CLEO_AT.2011.JTuI59.
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2010 | Book Chapter | LibreCat-ID: 18549
A. Schindlmayr, C. Friedrich, E. Şaşıoğlu, and S. Blügel, “First-principles calculation of electronic excitations in solids with SPEX,” in Modern and Universal First-Principles Methods for Many-Electron Systems in Chemistry and Physics, vol. 3, F. M. Dolg, Ed. München: Oldenbourg, 2010, pp. 67–78.
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2010 | Journal Article | LibreCat-ID: 18562
M. Bouhassoune and A. Schindlmayr, “Electronic structure and effective masses in strained silicon,” Physica Status Solidi C, vol. 7, no. 2, pp. 460–463, 2010.
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2010 | Journal Article | LibreCat-ID: 13573
C. Thierfelder, S. Sanna, A. Schindlmayr, and W. G. Schmidt, “Do we know the band gap of lithium niobate?,” Physica Status Solidi C, vol. 7, no. 2, pp. 362–365, 2010.
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2010 | Journal Article | LibreCat-ID: 18560 | OA
E. Şaşıoğlu, A. Schindlmayr, C. Friedrich, F. Freimuth, and S. Blügel, “Wannier-function approach to spin excitations in solids,” Physical Review B, vol. 81, no. 5, Art. no. 054434, 2010, doi: 10.1103/PhysRevB.81.054434.
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2010 | Journal Article | LibreCat-ID: 18557
A. Schindlmayr, C. Friedrich, E. Şaşıoğlu, and S. Blügel, “First-principles calculation of electronic excitations in solids with SPEX,” Zeitschrift für Physikalische Chemie, vol. 224, no. 3–4, pp. 357–368, 2010, doi: 10.1524/zpch.2010.6110.
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2010 | Journal Article | LibreCat-ID: 18558 | OA
C. Friedrich, S. Blügel, and A. Schindlmayr, “Efficient implementation of the GW approximation within the all-electron FLAPW method,” Physical Review B, vol. 81, no. 12, Art. no. 125102, 2010, doi: 10.1103/PhysRevB.81.125102.
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2009 | Journal Article | LibreCat-ID: 18632 | OA
S. F. Feste et al., “Measurement of effective electron mass in biaxial tensile strained silicon on insulator,” Applied Physics Letters, vol. 95, no. 18, 2009.
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2009 | Conference Paper | LibreCat-ID: 18634 | OA
A. Schindlmayr, “Optical conductivity of metals from first principles,” in Theoretical and Computational Nanophotonics: Proceedings of the 2nd International Workshop, Bad Honnef, 2009, vol. 1176, no. 1, pp. 157–159, doi: 10.1063/1.3253897.
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2009 | Journal Article | LibreCat-ID: 18636
C. Friedrich, A. Schindlmayr, and S. Blügel, “Efficient calculation of the Coulomb matrix and its expansion around k=0 within the FLAPW method,” Computer Physics Communications, vol. 180, no. 3, pp. 347–359, 2009, doi: 10.1016/j.cpc.2008.10.009.
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2008 | Journal Article | LibreCat-ID: 18564 | OA
C. Freysoldt, P. Eggert, P. Rinke, A. Schindlmayr, and M. Scheffler, “Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach,” Physical Review B, vol. 77, no. 23, Art. no. 235428, 2008, doi: 10.1103/PhysRevB.77.235428.
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2007 | Book Chapter | LibreCat-ID: 18588
A. Schindlmayr, “Interaction of radiation with matter. Part II: Light and electrons,” in Probing the Nanoworld , vol. 34, K. Urban, C. M. Schneider, T. Brückel, and S. Blügel, Eds. Jülich: Forschungszentrum Jülich, 2007, p. A1.21-A1.36.
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2007 | Journal Article | LibreCat-ID: 18589
S. Botti, A. Schindlmayr, R. Del Sole, and L. Reining, “Time-dependent density-functional theory for extended systems,” Reports on Progress in Physics, vol. 70, no. 3, pp. 357–407, 2007.
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2007 | Journal Article | LibreCat-ID: 18591 | OA
M. Friák, A. Schindlmayr, and M. Scheffler, “Ab initio study of the half-metal to metal transition in strained magnetite,” New Journal of Physics, vol. 9, no. 1, 2007.
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2007 | Book Chapter | LibreCat-ID: 18593
A. Schindlmayr and M. Scheffler, “Quasiparticle calculations for point defects at semiconductor surfaces,” in Theory of Defects in Semiconductors, vol. 104, D. A. Drabold and S. K. Estreicher, Eds. Berlin, Heidelberg: Springer, 2007, pp. 165–192.
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2007 | Journal Article | LibreCat-ID: 18595
C. Freysoldt, P. Eggert, P. Rinke, A. Schindlmayr, R. W. Godby, and M. Scheffler, “Dielectric anisotropy in the GW space–time method,” Computer Physics Communications, vol. 176, no. 1, pp. 1–13, 2007, doi: 10.1016/j.cpc.2006.07.018.
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2006 | Book Chapter | LibreCat-ID: 18601 | OA
C. Friedrich and A. Schindlmayr, “Many-body perturbation theory: The GW approximation,” in Computational Condensed Matter Physics, 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.
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2006 | Book Chapter | LibreCat-ID: 18603 | OA
A. Schindlmayr, “Time-dependent density-functional theory,” in Computational Condensed Matter Physics, 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.
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2006 | Book Chapter | LibreCat-ID: 18606 | OA
C. Friedrich and A. Schindlmayr, “Many-body perturbation theory: The GW approximation,” in Computational Nanoscience: Do It Yourself!, vol. 31, J. Grotendorst, S. Blügel, and D. Marx, Eds. Jülich: John von Neumann Institute for Computing, 2006, pp. 335–355.
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2006 | Journal Article | LibreCat-ID: 18597 | OA
M. Hedström, A. Schindlmayr, G. Schwarz, and M. Scheffler, “Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110),” Physical Review Letters, vol. 97, no. 22, Art. no. 226401, 2006, doi: 10.1103/PhysRevLett.97.226401.
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2006 | Journal Article | LibreCat-ID: 18599 | OA
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,” Physical Review B, vol. 74, no. 4, Art. no. 045104, 2006, doi: 10.1103/physrevb.74.045104.
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2005 | Book Chapter | LibreCat-ID: 18608 | OA
A. Schindlmayr, “Magnetic excitations,” in Magnetism goes Nano, vol. 26, S. Blügel, T. Brückel, and C. M. Schneider, Eds. Jülich: Forschungszentrum Jülich, 2005, p. D1.1-D1.20.
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2002 | Journal Article | LibreCat-ID: 18610
M. Hedström, A. Schindlmayr, and M. Scheffler, “Quasiparticle calculations for point defects on semiconductor surfaces,” Physica Status Solidi B, vol. 234, no. 1, pp. 346–353, 2002, doi: 10.1002/1521-3951(200211)234:1%3C346::AID-PSSB346%3E3.0.CO;2-J.
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2001 | Journal Article | LibreCat-ID: 18612 | OA
A. Schindlmayr, P. García-González, and R. W. Godby, “Diagrammatic self-energy approximations and the total particle number,” Physical Review B, vol. 64, no. 23, Art. no. 235106, 2001, doi: 10.1103/PhysRevB.64.235106.
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2001 | Journal Article | LibreCat-ID: 18615 | OA
K. Tatarczyk, A. Schindlmayr, and M. Scheffler, “Exchange-correlation kernels for excited states in solids,” Physical Review B, vol. 63, no. 23, Art. no. 235106, 2001, doi: 10.1103/PhysRevB.63.235106.
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2001 | Book Chapter | LibreCat-ID: 18614
A. Schindlmayr, “Self-consistency and vertex corrections beyond the GW approximation,” in Recent Research Developments in Physics, vol. 2, S. G. Pandalai, Ed. Trivandrum: Transworld Research Network, 2001, pp. 277–288.
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2000 | Journal Article | LibreCat-ID: 18617 | OA
A. Schindlmayr, “Decay properties of the one-particle Green function in real space and imaginary time,” Physical Review B, vol. 62, no. 19, pp. 12573–12576, 2000, doi: 10.1103/PhysRevB.62.12573.
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1999 | Journal Article | LibreCat-ID: 18619
A. Schindlmayr, “Universality of the Hohenberg–Kohn functional,” American Journal of Physics, vol. 67, no. 10, pp. 933–934, 1999, doi: 10.1119/1.19156.
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1998 | Journal Article | LibreCat-ID: 18620 | OA
A. Schindlmayr, T. J. Pollehn, and R. W. Godby, “Spectra and total energies from self-consistent many-body perturbation theory,” Physical Review B, vol. 58, no. 19, pp. 12684–12690, 1998, doi: 10.1103/PhysRevB.58.12684.
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1998 | Journal Article | LibreCat-ID: 18622 | OA
A. Schindlmayr and R. W. Godby, “Systematic vertex corrections through iterative solution of Hedin’s equations beyond the GW approximation,” Physical Review Letters, vol. 80, no. 8, pp. 1702–1705, 1998, doi: 10.1103/PhysRevLett.80.1702.
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1998 | Journal Article | LibreCat-ID: 18624
T. J. Pollehn, A. Schindlmayr, and R. W. Godby, “Assessment of the GW approximation using Hubbard chains,” Journal of Physics: Condensed Matter, vol. 10, no. 6, pp. 1273–1283, 1998, doi: 10.1088/0953-8984/10/6/011.
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1997 | Journal Article | LibreCat-ID: 18626
A. Schindlmayr, “Excitons with anisotropic effective mass,” European Journal of Physics, vol. 18, no. 5, pp. 374–376, 1997, doi: 10.1088/0143-0807/18/5/011.
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1997 | Journal Article | LibreCat-ID: 18628 | OA
A. Schindlmayr, “Violation of particle number conservation in the GW approximation,” Physical Review B, vol. 56, no. 7, pp. 3528–3531, 1997, doi: 10.1103/PhysRevB.56.3528.
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1995 | Journal Article | LibreCat-ID: 18630 | OA
A. Schindlmayr and R. W. Godby, “Density-functional theory and the v-representability problem for model strongly correlated electron systems,” Physical Review B, vol. 51, no. 16, pp. 10427–10435, 1995, doi: 10.1103/PhysRevB.51.10427.
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