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Georg Kresse
Georg Kresse
University of Vienna, Faculty of Physics, Professor for Computational Quantum Mechanics
Bestätigte E-Mail-Adresse bei univie.ac.at - Startseite
Titel
Zitiert von
Zitiert von
Jahr
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
G Kresse, J Furthmüller
Physical review B 54 (16), 11169, 1996
829071996
From ultrasoft pseudopotentials to the projector augmented-wave method
G Kresse, D Joubert
Physical review b 59 (3), 1758, 1999
592741999
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
G Kresse, J Furthmüller
Computational materials science 6 (1), 15-50, 1996
519531996
Ab initio molecular dynamics for liquid metals
G Kresse, J Hafner
Physical review B 47 (1), 558, 1993
361431993
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
G Kresse, J Hafner
Physical Review B 49 (20), 14251, 1994
180971994
Ab initio molecular dynamics for open-shell transition metals
G Kresse, J Hafner
Physical Review B 48 (17), 13115, 1993
64231993
Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements
G Kresse, J Hafner
Journal of Physics: Condensed Matter 6 (40), 8245, 1994
42841994
Linear optical properties in the projector-augmented wave methodology
M Gajdoš, K Hummer, G Kresse, J Furthmüller, F Bechstedt
Physical Review B 73 (4), 045112, 2006
23612006
Screened hybrid density functionals applied to solids
J Paier, M Marsman, K Hummer, G Kresse, IC Gerber, JG Ángyán
The Journal of chemical physics 124 (15), 154709, 2006
21862006
Screened hybrid density functionals applied to solids
J Paier, M Marsman, K Hummer, G Kresse, IC Gerber, JG Ángyán
The Journal of chemical physics 124 (15), 154709, 2006
21862006
First-principles calculations for point defects in solids
C Freysoldt, B Grabowski, T Hickel, J Neugebauer, G Kresse, A Janotti, ...
Reviews of modern physics 86 (1), 253, 2014
17832014
Software VASP, vienna (1999)
G Kresse, J Furthmüller
Phys. Rev. B 54 (11), 169, 1996
15891996
Defect energetics in ZnO: A hybrid Hartree-Fock density functional study
F Oba, A Togo, I Tanaka, J Paier, G Kresse
Physical Review B 77 (24), 245202, 2008
13912008
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
1007*2016
Self-consistent calculations for semiconductors and insulators
M Shishkin, G Kresse
Physical Review B 75 (23), 235102, 2007
9362007
Implementation and performance of the frequency-dependent method within the PAW framework
M Shishkin, G Kresse
Physical Review B 74 (3), 035101, 2006
8902006
Fully unconstrained noncollinear magnetism within the projector augmented-wave method
D Hobbs, G Kresse, J Hafner
Physical Review B 62 (17), 11556, 2000
7942000
Ab initio force constant approach to phonon dispersion relations of diamond and graphite
G Kresse, J Furthmüller, J Hafner
EPL (Europhysics Letters) 32 (9), 729, 1995
7721995
The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set
J Paier, R Hirschl, M Marsman, G Kresse
The Journal of chemical physics 122 (23), 234102, 2005
7532005
First-principles investigation of phase stability in
A Van der Ven, MK Aydinol, G Ceder, G Kresse, J Hafner
Physical Review B 58 (6), 2975, 1998
7391998
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