Georg Kresse
Georg Kresse
Professor for Computational Materials Physics, University of Vienna, Faculty of Physics
Verified email at univie.ac.at - Homepage
TitleCited byYear
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
516601996
From ultrasoft pseudopotentials to the projector augmented-wave method
G Kresse, D Joubert
Physical Review B 59 (3), 1758, 1999
376741999
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
329591996
Ab initio molecular dynamics for liquid metals
G Kresse, J Hafner
Physical Review B 47 (1), 558, 1993
247681993
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
124101994
Ab initio molecular dynamics for open-shell transition metals
G Kresse, J Hafner
Physical Review B 48 (17), 13115, 1993
45801993
Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements
G Kresse, J Hafner
Journal of Physics: Condensed Matter 6 (40), 8245, 1994
35341994
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
15762006
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
15762006
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
13882006
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
12022008
Software VASP, vienna (1999)
G Kresse, J Furthmüller
Phys. Rev. B 54 (11), 169, 1996
11601996
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
8722014
Self-consistent calculations for semiconductors and insulators
M Shishkin, G Kresse
Physical Review B 75 (23), 235102, 2007
6702007
Implementation and performance of the frequency-dependent method within the PAW framework
M Shishkin, G Kresse
Physical Review B 74 (3), 035101, 2006
6552006
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
6091995
Fully unconstrained noncollinear magnetism within the projector augmented-wave method
D Hobbs, G Kresse, J Hafner
Physical Review B 62 (17), 11556, 2000
5652000
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
5471998
Accurate Quasiparticle Spectra from Self-Consistent GW Calculations with Vertex Corrections
M Shishkin, M Marsman, G Kresse
Physical review letters 99 (24), 246403, 2007
5452007
Novel stabilization mechanism on polar surfaces: ZnO (0001)-Zn
O Dulub, U Diebold, G Kresse
Physical review letters 90 (1), 016102, 2003
5302003
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