Takip et
Georg Kresse
Georg Kresse
University of Vienna, Faculty of Physics, Professor for Computational Quantum Mechanics
univie.ac.at üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
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
1157871996
From ultrasoft pseudopotentials to the projector augmented-wave method
G Kresse, D Joubert
Physical review b 59 (3), 1758, 1999
811761999
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
723841996
Ab initio molecular dynamics for liquid metals
G Kresse, J Hafner
Physical review B 47 (1), 558, 1993
467001993
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
226671994
Furthmüller 1996 Phys
G Kresse
Rev. B 54 (1), 1169, 1996
93821996
Ab initio molecular dynamics for open-shell transition metals
G Kresse, J Hafner
Physical Review B 48 (17), 13115, 1993
79961993
Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements
G Kresse, J Hafner
Journal of Physics: Condensed Matter 6 (40), 8245, 1994
49041994
Linear optical properties in the projector-augmented wave methodology
M Gajdoš, K Hummer, G Kresse, J Furthmüller, F Bechstedt
Physical Review B—Condensed Matter and Materials Physics 73 (4), 045112, 2006
33422006
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), 253-305, 2014
27952014
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), 2006
27352006
Hafner, J1: CAS: 528: DyaK2cXkvFKrtL4% 3D: Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium. vol. 49
G Kresse
Phys Rev B, 14251-14269, 1994
16881994
Defect energetics in ZnO: A hybrid Hartree-Fock density functional study
F Oba, A Togo, I Tanaka, J Paier, G Kresse
Physical Review B—Condensed Matter and Materials Physics 77 (24), 245202, 2008
14672008
Software VASP, vienna (1999)
G Kresse, J Furthmüller
Phys. Rev. B 54 (11), 169, 1996
14291996
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
14142016
Self-consistent calculations for semiconductors and insulators
M Shishkin, G Kresse
Physical Review B—Condensed Matter and Materials Physics 75 (23), 235102, 2007
11122007
Ab initio molecular dynamics for liquid metals
G Kresse
Journal of Non-Crystalline Solids 192, 222-229, 1995
10821995
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), 2005
10632005
Implementation and performance of the frequency-dependent method within the PAW framework
M Shishkin, G Kresse
Physical Review B—Condensed Matter and Materials Physics 74 (3), 035101, 2006
10502006
Fully unconstrained noncollinear magnetism within the projector augmented-wave method
D Hobbs, G Kresse, J Hafner
Physical Review B 62 (17), 11556, 2000
9622000
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