Derivation of Miller's rule for the nonlinear optical susceptibility of a quantum anharmonic oscillator
M.T. Meyer, A. Schindlmayr, Journal of Physics B: Atomic, Molecular and Optical Physics 57 (2024).
LibreCat: /record/52723
DOI: 10.1088/1361-6455/ad369c
WoS: 001196678300001

Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response
F. Schmidt, A.L. Kozub, U. Gerstmann, W.G. Schmidt, A. Schindlmayr, in: G. Corradi, L. Kovács (Eds.), New Trends in Lithium Niobate: From Bulk to Nanocrystals, MDPI, Basel, 2022, pp. 231–248.
LibreCat: /record/30288
DOI: 10.3390/books978-3-0365-3339-1

Quasiparticle energies and optical response of RbTiOPO4 and KTiOAsO4
S. Neufeld, A. Schindlmayr, W.G. Schmidt, Journal of Physics: Materials 5 (2022).
LibreCat: /record/26627
DOI: 10.1088/2515-7639/ac3384
WoS: 000721060500001

Programmierung und Computersimulationen
A. Schindlmayr, in: J. Gerick, A. Sommer, G. Zimmermann (Eds.), Kompetent Prüfungen gestalten: 60 Prüfungsformate für die Hochschullehre, 2nd ed., Waxmann, Münster, 2022, pp. 270–274.
LibreCat: /record/29808
DOI: 10.36198/9783838558592

A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate
F. Schmidt, A.L. Kozub, U. Gerstmann, W.G. Schmidt, A. Schindlmayr, Crystals 12 (2022).
LibreCat: /record/44088
DOI: 10.3390/cryst12111586
WoS: 000895837200001

Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response
F. Schmidt, A.L. Kozub, U. Gerstmann, W.G. Schmidt, A. Schindlmayr, Crystals 11 (2021) 542.
LibreCat: /record/21946
DOI: 10.3390/cryst11050542
WoS: 000653822700001

Lattice parameters and electronic band gap of orthorhombic potassium sodium niobate K0.5N.5NbO3 from density-functional theory
N. Bidaraguppe Ramesh, F. Schmidt, A. Schindlmayr, The European Physical Journal B 94 (2021).
LibreCat: /record/22960
DOI: 10.1140/epjb/s10051-021-00179-8
WoS: 000687163200002

Erratum: Efficient implementation of the GW approximation within the all-electron FLAPW method [Phys. Rev. B 81, 125102 (2010)]
C. Friedrich, S. Blügel, A. Schindlmayr, Physical Review B 104 (2021).
LibreCat: /record/22761
DOI: 10.1103/PhysRevB.104.039901
WoS: 000671587300006

Polaronic enhancement of second-harmonic generation in lithium niobate
A.L. Kozub, A. Schindlmayr, U. Gerstmann, W.G. Schmidt, Physical Review B 104 (2021) 174110.
LibreCat: /record/23418
DOI: 10.1103/PhysRevB.104.174110
WoS: 000720931400007
arXiv: 2106.01145

Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations
F. Schmidt, A.L. Kozub, T. Biktagirov, C. Eigner, C. Silberhorn, A. Schindlmayr, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020).
LibreCat: /record/19190
DOI: 10.1103/PhysRevResearch.2.043002
WoS: 000604206300002

Quasiparticle and excitonic effects in the optical response of KNbO3
F. Schmidt, A. Riefer, W.G. Schmidt, A. Schindlmayr, M. Imlau, F. Dobener, N. Mengel, S. Chatterjee, S. Sanna, Physical Review Materials 3 (2019).
LibreCat: /record/10014
DOI: 10.1103/PhysRevMaterials.3.054401
WoS: 000467044000003

Potassium titanyl phosphate (KTP) quasiparticle energies and optical response
S. Neufeld, A. Bocchini, U. Gerstmann, A. Schindlmayr, W.G. Schmidt, Journal of Physics: Materials 2 (2019) 045003.
LibreCat: /record/13365
DOI: 10.1088/2515-7639/ab29ba
WoS: 000560410300003

Exact formulation of the transverse dynamic spin susceptibility as an initial-value problem
A. Schindlmayr, Advances in Mathematical Physics 2018 (2018).
LibreCat: /record/18466
DOI: 10.1155/2018/3732892
WoS: 000422773000001

Erratum: Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory [Phys. Rev. Materials 1, 034401 (2017)]
M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. Sanna, Physical Review Materials 2 (2018).
LibreCat: /record/13410
DOI: 10.1103/PhysRevMaterials.2.019902
WoS: 000419778500006

Zn–VI quasiparticle gaps and optical spectra from many-body calculations
A. Riefer, N. Weber, J. Mund, D.R. Yakovlev, M. Bayer, A. Schindlmayr, C. Meier, W.G. Schmidt, Journal of Physics: Condensed Matter 29 (2017).
LibreCat: /record/7481
DOI: 10.1088/1361-648x/aa6b2a
WoS: 000400093100001
PMID: 28374685

Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory
M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. Sanna, Physical Review Materials 1 (2017).
LibreCat: /record/13416
DOI: 10.1103/PhysRevMaterials.1.054406
WoS: 000416586100003

Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory
M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. Sanna, Physical Review Materials 1 (2017).
LibreCat: /record/10021
DOI: 10.1103/PhysRevMaterials.1.034401
WoS: 000416562300001

Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory
F. Schmidt, M. Landmann, E. Rauls, N. Argiolas, S. Sanna, W.G. Schmidt, A. Schindlmayr, Advances in Materials Science and Engineering 2017 (2017).
LibreCat: /record/10023
DOI: 10.1155/2017/3981317
WoS: 000394873300001

LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects
A. Riefer, M. Friedrich, S. Sanna, U. Gerstmann, A. Schindlmayr, W.G. Schmidt, Physical Review B 93 (2016).
LibreCat: /record/10024
DOI: 10.1103/PhysRevB.93.075205
WoS: 000370794800004

LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles
M. Friedrich, A. Schindlmayr, W.G. Schmidt, S. Sanna, Physica Status Solidi B 253 (2016) 683–689.
LibreCat: /record/10025
DOI: 10.1002/pssb.201552576
WoS: 000374142500015

Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory
M. Friedrich, A. Riefer, S. Sanna, W.G. Schmidt, A. Schindlmayr, Journal of Physics: Condensed Matter 27 (2015).
LibreCat: /record/10030
DOI: 10.1088/0953-8984/27/38/385402
WoS: 000362549700004
PMID: 26337951

Ab initio study of strain effects on the quasiparticle bands and effective masses in silicon
M. Bouhassoune, A. Schindlmayr, Advances in Condensed Matter Physics 2015 (2015).
LibreCat: /record/18470
DOI: 10.1155/2015/453125
WoS: 000350656500001

Spin excitations in solids from many-body perturbation theory
C. Friedrich, E. eafoflu, M. Müller, A. Schindlmayr, S. Blügel, in: C. Di Valentin, S. Botti, M. Cococcioni (Eds.), First Principles Approaches to Spectroscopic Properties of Complex Materials, Springer, Berlin, Heidelberg, 2014, pp. 259–301.
LibreCat: /record/18471
DOI: 10.1007/128_2013_518
WoS: 000356811000008
PMID: 24577607

The GW approximation for the electronic self-energy
A. Schindlmayr, in: V. Bach, L. Delle Site (Eds.), Many-Electron Approaches in Physics, Chemistry and Mathematics, Springer, Cham, 2014, pp. 343–357.
LibreCat: /record/18472
DOI: 10.1007/978-3-319-06379-9_19

Theoretical investigation of the band structure of picene single crystals within the GW approximation
S. Yanagisawa, Y. Morikawa, A. Schindlmayr, Japanese Journal of Applied Physics 53 (2014).
LibreCat: /record/18473
DOI: 10.7567/jjap.53.05fy02
WoS: 000338316200158

Many-body perturbation theory: The GW approximation
C. Friedrich, A. Schindlmayr, in: S. Blügel, N. Helbig, V. Meden, D. Wortmann (Eds.), Computing Solids: Models, Ab Initio Methods and Supercomputing, Forschungszentrum Jülich, Jülich, 2014, p. .1-.21.
LibreCat: /record/18474

Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations
A. Riefer, M. Rohrmüller, M. Landmann, S. Sanna, E. Rauls, N.J. Vollmers, R. Hölscher, M. Witte, Y. Li, U. Gerstmann, A. Schindlmayr, W.G. Schmidt, in: W.E. Nagel, D.H. Kröner, M.M. Resch (Eds.), High Performance Computing in Science and Engineering ‘13, Springer, Cham, 2013, pp. 93–104.
LibreCat: /record/18475
DOI: 10.1007/978-3-319-02165-2_8
WoS: 000360004100009

HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections within the GW approximation
S. Yanagisawa, Y. Morikawa, A. Schindlmayr, Physical Review B 88 (2013).
LibreCat: /record/18476
DOI: 10.1103/PhysRevB.88.115438
WoS: 000325175600010

Optical response of stoichiometric and congruent lithium niobate from first-principles calculations
A. Riefer, S. Sanna, A. Schindlmayr, W.G. Schmidt, Physical Review B 87 (2013).
LibreCat: /record/13525
DOI: 10.1103/PhysRevB.87.195208
WoS: 000319391000002

Analytic evaluation of the electronic self-energy in the GW approximation for two electrons on a sphere
A. Schindlmayr, Physical Review B 87 (2013).
LibreCat: /record/18479
DOI: 10.1103/PhysRevB.87.075104
WoS: 000314682500002
arXiv: 1302.6368

Hybrid functionals and GW approximation in the FLAPW method
C. Friedrich, M. Betzinger, M. Schlipf, S. Blügel, A. Schindlmayr, Journal of Physics: Condensed Matter 24 (2012).
LibreCat: /record/18542
DOI: 10.1088/0953-8984/24/29/293201
WoS: 000306270700001
PMID: 22773268

Simulation of the ultrafast nonlinear optical response of metal slabs
M. Wand, A. Schindlmayr, T. Meier, J. Förstner, Physica Status Solidi B 248 (2011) 887–891.
LibreCat: /record/4091
DOI: 10.1002/pssb.201001219
WoS: 000288856300020

Theoretical approach to the ultrafast nonlinear optical response of metal slabs
M. Wand, A. Schindlmayr, T. Meier, J. Förstner, in: CLEO:2011 - Laser Applications to Photonic Applications	, Optical Society of America, 2011.
LibreCat: /record/4048
DOI: 10.1364/CLEO_AT.2011.JTuI59
WoS: 000295612403066

First-principles calculation of electronic excitations in solids with SPEX
A. Schindlmayr, C. Friedrich, E. eafoflu, S. Blügel, in: F.M. Dolg (Ed.), Modern and Universal First-Principles Methods for Many-Electron Systems in Chemistry and Physics, Oldenbourg, München, 2010, pp. 67–78.
LibreCat: /record/18549
DOI: 10.1524/9783486711639.67

Electronic structure and effective masses in strained silicon
M. Bouhassoune, A. Schindlmayr, Physica Status Solidi C 7 (2010) 460–463.
LibreCat: /record/18562
DOI: 10.1002/pssc.200982470
WoS: 000284313000081

Do we know the band gap of lithium niobate?
C. Thierfelder, S. Sanna, A. Schindlmayr, W.G. Schmidt, Physica Status Solidi C 7 (2010) 362–365.
LibreCat: /record/13573
DOI: 10.1002/pssc.200982473
WoS: 000284313000057

Wannier-function approach to spin excitations in solids
E. eafoflu, A. Schindlmayr, C. Friedrich, F. Freimuth, S. Blügel, Physical Review B 81 (2010).
LibreCat: /record/18560
DOI: 10.1103/PhysRevB.81.054434
WoS: 000274998000084
arXiv: 1002.4897

First-principles calculation of electronic excitations in solids with SPEX
A. Schindlmayr, C. Friedrich, E. eafoflu, S. Blügel, Zeitschrift Für Physikalische Chemie 224 (2010) 357–368.
LibreCat: /record/18557
DOI: 10.1524/zpch.2010.6110
WoS: 000281124800006
arXiv: 1110.1596

Efficient implementation of the GW approximation within the all-electron FLAPW method
C. Friedrich, S. Blügel, A. Schindlmayr, Physical Review B 81 (2010).
LibreCat: /record/18558
DOI: 10.1103/PhysRevB.81.125102
WoS: 000276248900039
arXiv: 1003.0316

Measurement of effective electron mass in biaxial tensile strained silicon on insulator
S.F. Feste, T. Schäpers, D. Buca, Q.T. Zhao, J. Knoch, M. Bouhassoune, A. Schindlmayr, S. Mantl, Applied Physics Letters 95 (2009).
LibreCat: /record/18632
DOI: 10.1063/1.3254330
WoS: 000271666800034

Optical conductivity of metals from first principles
A. Schindlmayr, in: D.N. Chigrin (Ed.), Theoretical and Computational Nanophotonics: Proceedings of the 2nd International Workshop, American Institute of Physics, 2009, pp. 157–159.
LibreCat: /record/18634
DOI: 10.1063/1.3253897
WoS: 000280420600055
arXiv: 1109.2771

Efficient calculation of the Coulomb matrix and its expansion around k=0 within the FLAPW method
C. Friedrich, A. Schindlmayr, S. Blügel, Computer Physics Communications 180 (2009) 347–359.
LibreCat: /record/18636
DOI: 10.1016/j.cpc.2008.10.009
WoS: 000264735800002
arXiv: 0811.2363

Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach
C. Freysoldt, P. Eggert, P. Rinke, A. Schindlmayr, M. Scheffler, Physical Review B 77 (2008).
LibreCat: /record/18564
DOI: 10.1103/PhysRevB.77.235428
WoS: 000257289500118
arXiv: 0801.1714

Interaction of radiation with matter. Part II: Light and electrons
A. Schindlmayr, in: K. Urban, C.M. Schneider, T. Brückel, S. Blügel (Eds.), Probing the Nanoworld , Forschungszentrum Jülich, Jülich, 2007, p. .21-.36.
LibreCat: /record/18588

Time-dependent density-functional theory for extended systems
S. Botti, A. Schindlmayr, R. Del Sole, L. Reining, Reports on Progress in Physics 70 (2007) 357–407.
LibreCat: /record/18589
DOI: 10.1088/0034-4885/70/3/r02
WoS: 000244875800003

Ab initio study of the half-metal to metal transition in strained magnetite
M. Friák, A. Schindlmayr, M. Scheffler, New Journal of Physics 9 (2007).
LibreCat: /record/18591
DOI: 10.1088/1367-2630/9/1/005
WoS: 000243590400002

Quasiparticle calculations for point defects at semiconductor surfaces
A. Schindlmayr, M. Scheffler, in: D.A. Drabold, S.K. Estreicher (Eds.), Theory of Defects in Semiconductors, Springer, Berlin, Heidelberg, 2007, pp. 165–192.
LibreCat: /record/18593
DOI: 10.1007/11690320_8
WoS: 000241944900008

Dielectric anisotropy in the GW space–time method
C. Freysoldt, P. Eggert, P. Rinke, A. Schindlmayr, R.W. Godby, M. Scheffler, Computer Physics Communications 176 (2007) 1–13.
LibreCat: /record/18595
DOI: 10.1016/j.cpc.2006.07.018
WoS: 000243680100001
arXiv: cond-mat/0608215

Many-body perturbation theory: The GW approximation
C. Friedrich, A. Schindlmayr, in: S. Blügel, G. Gompper, E. Koch, H. Müller-Krumbhaar, R. Spatschek, R.G. Winkler (Eds.), Computational Condensed Matter Physics, Forschungszentrum Jülich, Jülich, 2006, p. .1-.21.
LibreCat: /record/18601

Time-dependent density-functional theory
A. Schindlmayr, in: S. Blügel, G. Gompper, E. Koch, H. Müller-Krumbhaar, R. Spatschek, R.G. Winkler (Eds.), Computational Condensed Matter Physics, Forschungszentrum Jülich, Jülich, 2006, p. .1-.19.
LibreCat: /record/18603