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66 Publications
2024 | Journal Article | LibreCat-ID: 52723 | 
Meyer, Maximilian Tim, and Arno 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, 095001, IOP Publishing, 2024, doi:10.1088/1361-6455/ad369c.
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2022 | Book Chapter | LibreCat-ID: 30288
Schmidt, Falko, et al. “Electron Polarons in Lithium Niobate: Charge Localization, Lattice Deformation, and Optical Response.” New Trends in Lithium Niobate: From Bulk to Nanocrystals, edited by Gábor Corradi and László Kovács, MDPI, 2022, pp. 231–48, doi:10.3390/books978-3-0365-3339-1.
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2022 | Journal Article | LibreCat-ID: 26627 |
Neufeld, Sergej, et al. “Quasiparticle Energies and Optical Response of RbTiOPO4 and KTiOAsO4.” Journal of Physics: Materials, vol. 5, no. 1, 015002, IOP Publishing, 2022, doi:10.1088/2515-7639/ac3384.
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2022 | Book Chapter | LibreCat-ID: 29808
Schindlmayr, Arno. “Programmierung und Computersimulationen.” Kompetent Prüfungen gestalten: 60 Prüfungsformate für die Hochschullehre, edited by Julia Gerick et al., 2nd ed., Waxmann, 2022, pp. 270–74, doi:10.36198/9783838558592.
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2022 | Journal Article | LibreCat-ID: 44088 |
Schmidt, Falko, et al. “A Density-Functional Theory Study of Hole and Defect-Bound Exciton Polarons in Lithium Niobate.” Crystals, vol. 12, no. 11, 1586, MDPI AG, 2022, doi:10.3390/cryst12111586.
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2021 | Journal Article | LibreCat-ID: 21946 |
Schmidt, Falko, et al. “Electron Polarons in Lithium Niobate: Charge Localization, Lattice Deformation, and Optical Response.” Crystals, vol. 11, MDPI, 2021, p. 542, doi:10.3390/cryst11050542.
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2021 | Journal Article | LibreCat-ID: 22960 |
Bidaraguppe Ramesh, Nithin, et al. “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, 169, EDP Sciences, Società Italiana di Fisica and Springer, 2021, doi:10.1140/epjb/s10051-021-00179-8.
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2021 | Journal Article | LibreCat-ID: 22761 |
Friedrich, Christoph, et al. “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, 039901, American Physical Society, 2021, doi:10.1103/PhysRevB.104.039901.
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2021 | Journal Article | LibreCat-ID: 23418 |
Kozub, Agnieszka L., et al. “Polaronic Enhancement of Second-Harmonic Generation in Lithium Niobate.” Physical Review B, vol. 104, American Physical Society, 2021, p. 174110, doi:10.1103/PhysRevB.104.174110.
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2020 | Journal Article | LibreCat-ID: 19190 |
Schmidt, Falko, 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, 043002, American Physical Society, 2020, doi:10.1103/PhysRevResearch.2.043002.
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2019 | Journal Article | LibreCat-ID: 10014 |
Schmidt, Falko, et al. “Quasiparticle and Excitonic Effects in the Optical Response of KNbO3.” Physical Review Materials, vol. 3, no. 5, 054401, American Physical Society, 2019, doi:10.1103/PhysRevMaterials.3.054401.
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2019 | Journal Article | LibreCat-ID: 13365 |
Neufeld, Sergej, et al. “Potassium Titanyl Phosphate (KTP) Quasiparticle Energies and Optical Response.” Journal of Physics: Materials, vol. 2, IOP Publishing, 2019, p. 045003, doi:10.1088/2515-7639/ab29ba.
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2018 | Journal Article | LibreCat-ID: 18466 |
Schindlmayr, Arno. “Exact Formulation of the Transverse Dynamic Spin Susceptibility as an Initial-Value Problem.” Advances in Mathematical Physics, vol. 2018, 3732892, Hindawi, 2018, doi:10.1155/2018/3732892.
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2018 | Journal Article | LibreCat-ID: 13410 |
Friedrich, Michael, et al. “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, 019902, American Physical Society, 2018, doi:10.1103/PhysRevMaterials.2.019902.
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2017 | Journal Article | LibreCat-ID: 7481
Riefer, Arthur, et al. “Zn–VI Quasiparticle Gaps and Optical Spectra from Many-Body Calculations.” Journal of Physics: Condensed Matter, vol. 29, no. 21, 215702, IOP Publishing, 2017, doi:10.1088/1361-648x/aa6b2a.
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2017 | Journal Article | LibreCat-ID: 13416 |
Friedrich, Michael, et al. “Polaron Optical Absorption in Congruent Lithium Niobate from Time-Dependent Density-Functional Theory.” Physical Review Materials, vol. 1, no. 5, 054406, American Physical Society, 2017, doi:10.1103/PhysRevMaterials.1.054406.
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2017 | Journal Article | LibreCat-ID: 10021 |
Friedrich, Michael, et al. “Optical Properties of Titanium-Doped Lithium Niobate from Time-Dependent Density-Functional Theory.” Physical Review Materials, vol. 1, no. 3, 034401, American Physical Society, 2017, doi:10.1103/PhysRevMaterials.1.034401.
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2017 | Journal Article | LibreCat-ID: 10023 |
Schmidt, Falko, 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, 3981317, Hindawi, 2017, doi:10.1155/2017/3981317.
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2016 | Journal Article | LibreCat-ID: 10024 |
Riefer, Arthur, et al. “LiNbO3 Electronic Structure: Many-Body Interactions, Spin-Orbit Coupling, and Thermal Effects.” Physical Review B, vol. 93, no. 7, 075205, American Physical Society, 2016, doi:10.1103/PhysRevB.93.075205.
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2016 | Journal Article | LibreCat-ID: 10025
Friedrich, Michael, et al. “LiTaO3 Phonon Dispersion and Ferroelectric Transition Calculated from First Principles.” Physica Status Solidi B, vol. 253, no. 4, Wiley-VCH, 2016, pp. 683–89, doi:10.1002/pssb.201552576.
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2015 | Journal Article | LibreCat-ID: 10030
Friedrich, Michael, et al. “Phonon Dispersion and Zero-Point Renormalization of LiNbO3 from Density-Functional Perturbation Theory.” Journal of Physics: Condensed Matter, vol. 27, no. 38, 385402, IOP Publishing, 2015, doi:10.1088/0953-8984/27/38/385402.
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2015 | Journal Article | LibreCat-ID: 18470 |
Bouhassoune, Mohammed, and Arno Schindlmayr. “Ab Initio Study of Strain Effects on the Quasiparticle Bands and Effective Masses in Silicon.” Advances in Condensed Matter Physics, vol. 2015, 453125, Hindawi, 2015, doi:10.1155/2015/453125.
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2014 | Book Chapter | LibreCat-ID: 18471
Friedrich, Christoph, et al. “Spin Excitations in Solids from Many-Body Perturbation Theory.” First Principles Approaches to Spectroscopic Properties of Complex Materials, edited by Cristiana Di Valentin et al., vol. 347, Springer, 2014, pp. 259–301, doi:10.1007/128_2013_518.
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2014 | Book Chapter | LibreCat-ID: 18472
Schindlmayr, Arno. “The GW Approximation for the Electronic Self-Energy.” Many-Electron Approaches in Physics, Chemistry and Mathematics, edited by Volker Bach and Luigi Delle Site, vol. 29, Springer, 2014, pp. 343–57, doi:10.1007/978-3-319-06379-9_19.
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2014 | Journal Article | LibreCat-ID: 18473
Yanagisawa, Susumu, et al. “Theoretical Investigation of the Band Structure of Picene Single Crystals within the GW Approximation.” Japanese Journal of Applied Physics, vol. 53, no. 5S1, 05FY02, IOP Publishing and The Japan Society of Applied Physics, 2014, doi:10.7567/jjap.53.05fy02.
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2014 | Book Chapter | LibreCat-ID: 18474 |
Friedrich, Christoph, and Arno Schindlmayr. “Many-Body Perturbation Theory: The GW Approximation.” Computing Solids: Models, Ab Initio Methods and Supercomputing, edited by Stefan Blügel et al., vol. 74, Forschungszentrum Jülich, 2014, p. A4.1-A4.21.
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2013 | Book Chapter | LibreCat-ID: 18475
Riefer, Arthur, et al. “Lithium Niobate Dielectric Function and Second-Order Polarizability Tensor from Massively Parallel Ab Initio Calculations.” High Performance Computing in Science and Engineering ‘13, edited by Wolfgang E. Nagel et al., Springer, 2013, pp. 93–104, doi:10.1007/978-3-319-02165-2_8.
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2013 | Journal Article | LibreCat-ID: 18476 |
Yanagisawa, Susumu, et al. “HOMO Band Dispersion of Crystalline Rubrene: Effects of Self-Energy Corrections within the GW Approximation.” Physical Review B, vol. 88, no. 11, 115438, American Physical Society, 2013, doi:10.1103/PhysRevB.88.115438.
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2013 | Journal Article | LibreCat-ID: 13525 |
Riefer, Arthur, et al. “Optical Response of Stoichiometric and Congruent Lithium Niobate from First-Principles Calculations.” Physical Review B, vol. 87, no. 19, 195208, American Physical Society, 2013, doi:10.1103/PhysRevB.87.195208.
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2013 | Journal Article | LibreCat-ID: 18479 |
Schindlmayr, Arno. “Analytic Evaluation of the Electronic Self-Energy in the GW Approximation for Two Electrons on a Sphere.” Physical Review B, vol. 87, no. 7, 075104, American Physical Society, 2013, doi:10.1103/PhysRevB.87.075104.
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| arXiv
2012 | Journal Article | LibreCat-ID: 18542
Friedrich, Christoph, et al. “Hybrid Functionals and GW Approximation in the FLAPW Method.” Journal of Physics: Condensed Matter, vol. 24, no. 29, 293201, IOP Publishing, 2012, doi:10.1088/0953-8984/24/29/293201.
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2011 | Journal Article | LibreCat-ID: 4091
Wand, Mathias, et al. “Simulation of the Ultrafast Nonlinear Optical Response of Metal Slabs.” Physica Status Solidi B, vol. 248, no. 4, Wiley-VCH, 2011, pp. 887–91, doi:10.1002/pssb.201001219.
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2011 | Conference Paper | LibreCat-ID: 4048
Wand, Mathias, et al. “Theoretical Approach to the Ultrafast Nonlinear Optical Response of Metal Slabs.” CLEO:2011 - Laser Applications to Photonic Applications , JTuI59, Optical Society of America, 2011, doi:10.1364/CLEO_AT.2011.JTuI59.
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2010 | Book Chapter | LibreCat-ID: 18549
Schindlmayr, Arno, et al. “First-Principles Calculation of Electronic Excitations in Solids with SPEX.” Modern and Universal First-Principles Methods for Many-Electron Systems in Chemistry and Physics, edited by Franz Michael Dolg, vol. 3, Oldenbourg, 2010, pp. 67–78, doi:10.1524/9783486711639.67.
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2010 | Journal Article | LibreCat-ID: 18562
Bouhassoune, Mohammed, and Arno Schindlmayr. “Electronic Structure and Effective Masses in Strained Silicon.” Physica Status Solidi C, vol. 7, no. 2, Wiley-VCH, 2010, pp. 460–63, doi:10.1002/pssc.200982470.
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2010 | Journal Article | LibreCat-ID: 13573
Thierfelder, Christian, et al. “Do We Know the Band Gap of Lithium Niobate?” Physica Status Solidi C, vol. 7, no. 2, Wiley-VCH, 2010, pp. 362–65, doi:10.1002/pssc.200982473.
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2010 | Journal Article | LibreCat-ID: 18560 |
Şaşıoğlu, Ersoy, et al. “Wannier-Function Approach to Spin Excitations in Solids.” Physical Review B, vol. 81, no. 5, 054434, American Physical Society, 2010, doi:10.1103/PhysRevB.81.054434.
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| arXiv
2010 | Journal Article | LibreCat-ID: 18557
Schindlmayr, Arno, et al. “First-Principles Calculation of Electronic Excitations in Solids with SPEX.” Zeitschrift Für Physikalische Chemie, vol. 224, no. 3–4, Oldenbourg, 2010, pp. 357–68, doi:10.1524/zpch.2010.6110.
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2010 | Journal Article | LibreCat-ID: 18558 |
Friedrich, Christoph, et al. “Efficient Implementation of the GW Approximation within the All-Electron FLAPW Method.” Physical Review B, vol. 81, no. 12, 125102, American Physical Society, 2010, doi:10.1103/PhysRevB.81.125102.
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| arXiv
2009 | Journal Article | LibreCat-ID: 18632 |
Feste, Sebastian F., et al. “Measurement of Effective Electron Mass in Biaxial Tensile Strained Silicon on Insulator.” Applied Physics Letters, vol. 95, no. 18, 182101, American Institute of Physics, 2009, doi:10.1063/1.3254330.
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2009 | Conference Paper | LibreCat-ID: 18634 |
Schindlmayr, Arno. “Optical Conductivity of Metals from First Principles.” Theoretical and Computational Nanophotonics: Proceedings of the 2nd International Workshop, edited by Dmitry N. Chigrin, vol. 1176, no. 1, American Institute of Physics, 2009, pp. 157–59, doi:10.1063/1.3253897.
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| arXiv
2009 | Journal Article | LibreCat-ID: 18636
Friedrich, Christoph, et al. “Efficient Calculation of the Coulomb Matrix and Its Expansion around K=0 within the FLAPW Method.” Computer Physics Communications, vol. 180, no. 3, Elsevier, 2009, pp. 347–59, doi:10.1016/j.cpc.2008.10.009.
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2008 | Journal Article | LibreCat-ID: 18564 |
Freysoldt, Christoph, et al. “Screening in Two Dimensions: GW Calculations for Surfaces and Thin Films Using the Repeated-Slab Approach.” Physical Review B, vol. 77, no. 23, 235428, American Physical Society, 2008, doi:10.1103/PhysRevB.77.235428.
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2007 | Book Chapter | LibreCat-ID: 18588
Schindlmayr, Arno. “Interaction of Radiation with Matter. Part II: Light and Electrons.” Probing the Nanoworld , edited by Knut Urban et al., vol. 34, Forschungszentrum Jülich, 2007, p. A1.21-A1.36.
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2007 | Journal Article | LibreCat-ID: 18589
Botti, Silvana, et al. “Time-Dependent Density-Functional Theory for Extended Systems.” Reports on Progress in Physics, vol. 70, no. 3, IOP Publishing, 2007, pp. 357–407, doi:10.1088/0034-4885/70/3/r02.
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2007 | Journal Article | LibreCat-ID: 18591 |
Friák, Martin, et al. “Ab Initio Study of the Half-Metal to Metal Transition in Strained Magnetite.” New Journal of Physics, vol. 9, no. 1, 5, IOP Publishing and Deutsche Physikalische Gesellschaft, 2007, doi:10.1088/1367-2630/9/1/005.
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2007 | Book Chapter | LibreCat-ID: 18593
Schindlmayr, Arno, and Matthias Scheffler. “Quasiparticle Calculations for Point Defects at Semiconductor Surfaces.” Theory of Defects in Semiconductors, edited by David A. Drabold and Stefan K. Estreicher, vol. 104, Springer, 2007, pp. 165–92, doi:10.1007/11690320_8.
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2007 | Journal Article | LibreCat-ID: 18595
Freysoldt, Christoph, et al. “Dielectric Anisotropy in the GW Space–Time Method.” Computer Physics Communications, vol. 176, no. 1, Elsevier, 2007, pp. 1–13, doi:10.1016/j.cpc.2006.07.018.
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| arXiv
2006 | Book Chapter | LibreCat-ID: 18601 |
Friedrich, Christoph, and Arno Schindlmayr. “Many-Body Perturbation Theory: The GW Approximation.” Computational Condensed Matter Physics, edited by Stefan Blügel et al., vol. 32, Forschungszentrum Jülich, 2006, p. A5.1-A5.21.
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2006 | Book Chapter | LibreCat-ID: 18603 |
Schindlmayr, Arno. “Time-Dependent Density-Functional Theory.” Computational Condensed Matter Physics, edited by Stefan Blügel et al., vol. 32, Forschungszentrum Jülich, 2006, p. A4.1-A4.19.
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2006 | Book Chapter | LibreCat-ID: 18606 |
Friedrich, Christoph, and Arno Schindlmayr. “Many-Body Perturbation Theory: The GW Approximation.” Computational Nanoscience: Do It Yourself!, edited by Johannes Grotendorst et al., vol. 31, John von Neumann Institute for Computing, 2006, pp. 335–55.
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2006 | Journal Article | LibreCat-ID: 18597 |
Hedström, Magnus, et al. “Quasiparticle Corrections to the Electronic Properties of Anion Vacancies at GaAs(110) and InP(110).” Physical Review Letters, vol. 97, no. 22, 226401, American Physical Society, 2006, doi:10.1103/PhysRevLett.97.226401.
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2006 | Journal Article | LibreCat-ID: 18599 |
Friedrich, Christoph, et al. “Elimination of the Linearization Error in GW Calculations Based on the Linearized Augmented-Plane-Wave Method.” Physical Review B, vol. 74, no. 4, 045104, 2006, doi:10.1103/physrevb.74.045104.
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| arXiv
2005 | Book Chapter | LibreCat-ID: 18608 |
Schindlmayr, Arno. “Magnetic Excitations.” Magnetism Goes Nano, edited by Stefan Blügel et al., vol. 26, Forschungszentrum Jülich, 2005, p. D1.1-D1.20.
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2002 | Journal Article | LibreCat-ID: 18610
Hedström, Magnus, et al. “Quasiparticle Calculations for Point Defects on Semiconductor Surfaces.” Physica Status Solidi B, vol. 234, no. 1, Wiley-VCH, 2002, pp. 346–53, 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 |
Schindlmayr, Arno, et al. “Diagrammatic Self-Energy Approximations and the Total Particle Number.” Physical Review B, vol. 64, no. 23, 235106, American Physical Society, 2001, doi:10.1103/PhysRevB.64.235106.
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2001 | Journal Article | LibreCat-ID: 18615 |
Tatarczyk, Krzysztof, et al. “Exchange-Correlation Kernels for Excited States in Solids.” Physical Review B, vol. 63, no. 23, 235106, American Physical Society, 2001, doi:10.1103/PhysRevB.63.235106.
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2000 | Journal Article | LibreCat-ID: 18617 |
Schindlmayr, Arno. “Decay Properties of the One-Particle Green Function in Real Space and Imaginary Time.” Physical Review B, vol. 62, no. 19, American Physical Society, 2000, pp. 12573–76, doi:10.1103/PhysRevB.62.12573.
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1999 | Journal Article | LibreCat-ID: 18619
Schindlmayr, Arno. “Universality of the Hohenberg–Kohn Functional.” American Journal of Physics, vol. 67, no. 10, American Institute of Physics, 1999, pp. 933–34, doi:10.1119/1.19156.
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1998 | Journal Article | LibreCat-ID: 18620 |
Schindlmayr, Arno, et al. “Spectra and Total Energies from Self-Consistent Many-Body Perturbation Theory.” Physical Review B, vol. 58, no. 19, American Physical Society, 1998, pp. 12684–90, doi:10.1103/PhysRevB.58.12684.
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1998 | Journal Article | LibreCat-ID: 18622 |
Schindlmayr, Arno, and Rex William Godby. “Systematic Vertex Corrections through Iterative Solution of Hedin’s Equations beyond the GW Approximation.” Physical Review Letters, vol. 80, no. 8, American Physical Society, 1998, pp. 1702–05, doi:10.1103/PhysRevLett.80.1702.
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1998 | Journal Article | LibreCat-ID: 18624
Pollehn, Thomas Joachim, et al. “Assessment of the GW Approximation Using Hubbard Chains.” Journal of Physics: Condensed Matter, vol. 10, no. 6, IOP Publishing, 1998, pp. 1273–83, doi:10.1088/0953-8984/10/6/011.
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| arXiv
1997 | Journal Article | LibreCat-ID: 18626
Schindlmayr, Arno. “Excitons with Anisotropic Effective Mass.” European Journal of Physics, vol. 18, no. 5, IOP Publishing and The European Physical Society, 1997, pp. 374–76, doi:10.1088/0143-0807/18/5/011.
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1997 | Journal Article | LibreCat-ID: 18628 |
Schindlmayr, Arno. “Violation of Particle Number Conservation in the GW Approximation.” Physical Review B, vol. 56, no. 7, American Physical Society, 1997, pp. 3528–31, doi:10.1103/PhysRevB.56.3528.
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| arXiv
1995 | Journal Article | LibreCat-ID: 18630 |
Schindlmayr, Arno, and Rex William Godby. “Density-Functional Theory and the v-Representability Problem for Model Strongly Correlated Electron Systems.” Physical Review B, vol. 51, no. 16, American Physical Society, 1995, pp. 10427–35, doi:10.1103/PhysRevB.51.10427.
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