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