Articoli con mandati relativi all'accesso pubblico - Georg KresseUlteriori informazioni
Non disponibili pubblicamente: 29
Hybrid functionals applied to extended systems
M Marsman, J Paier, A Stroppa, G Kresse
Journal of Physics: Condensed Matter 20 (6), 064201, 2008
Mandati: Austrian Science Fund
Accurate surface and adsorption energies from many-body perturbation theory
L Schimka, J Harl, A Stroppa, A Grüneis, M Marsman, F Mittendorfer, ...
Nature materials 9 (9), 741-744, 2010
Mandati: Austrian Science Fund
Towards an exact description of electronic wavefunctions in real solids
GH Booth, A Grüneis, G Kresse, A Alavi
Nature 493 (7432), 365-370, 2013
Mandati: Austrian Science Fund
as a potential photovoltaic material: A hybrid Hartree-Fock density functional theory study
J Paier, R Asahi, A Nagoya, G Kresse
Physical Review B—Condensed Matter and Materials Physics 79 (11), 115126, 2009
Mandati: Austrian Science Fund
Accurate bulk properties from approximate many-body techniques
J Harl, G Kresse
Physical review letters 103 (5), 056401, 2009
Mandati: Austrian Science Fund
Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation-dissipation theory
J Harl, G Kresse
Physical Review B—Condensed Matter and Materials Physics 77 (4), 045136, 2008
Mandati: Austrian Science Fund
Calculation of the magnetic anisotropy with projected-augmented-wave methodology and the case study of disordered alloys
S Steiner, S Khmelevskyi, M Marsmann, G Kresse
Physical review B 93 (22), 224425, 2016
Mandati: Austrian Science Fund
Making the random phase approximation to electronic correlation accurate
A Grüneis, M Marsman, J Harl, L Schimka, G Kresse
The Journal of chemical physics 131 (15), 2009
Mandati: Austrian Science Fund
and revisited using the projector augmented wave method: Performance of hybrid and semilocal functionals
R Wahl, D Vogtenhuber, G Kresse
Physical Review B—Condensed Matter and Materials Physics 78 (10), 104116, 2008
Mandati: Austrian Science Fund
Accurate band structures and effective masses for InP, InAs, and InSb using hybrid functionals
YS Kim, K Hummer, G Kresse
Physical Review B—Condensed Matter and Materials Physics 80 (3), 035203, 2009
Mandati: Austrian Science Fund
Second-order Møller–Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set
M Marsman, A Grüneis, J Paier, G Kresse
The Journal of chemical physics 130 (18), 2009
Mandati: Austrian Science Fund
Heyd-Scuseria-Ernzerhof hybrid functional for calculating the lattice dynamics of semiconductors
K Hummer, J Harl, G Kresse
Physical Review B—Condensed Matter and Materials Physics 80 (11), 115205, 2009
Mandati: Austrian Science Fund
Second-order Møller–Plesset perturbation theory applied to extended systems. II. Structural and energetic properties
A Grüneis, M Marsman, G Kresse
The Journal of Chemical Physics 133 (7), 2010
Mandati: Austrian Science Fund
Hybrid functionals including random phase approximation correlation and second-order screened exchange
J Paier, BG Janesko, TM Henderson, GE Scuseria, A Grüneis, G Kresse
The Journal of chemical physics 132 (9), 2010
Mandati: Austrian Science Fund
Low scaling algorithms for the random phase approximation: Imaginary time and Laplace transformations
M Kaltak, J Klimes, G Kresse
Journal of chemical theory and computation 10 (6), 2498-2507, 2014
Mandati: Austrian Science Fund
First-principles study of Cu2ZnSnS4 and the related band offsets for photovoltaic applications
A Nagoya, R Asahi, G Kresse
Journal of Physics: Condensed Matter 23 (40), 404203, 2011
Mandati: Austrian Science Fund
Natural orbitals for wave function based correlated calculations using a plane wave basis set
A Grüneis, GH Booth, M Marsman, J Spencer, A Alavi, G Kresse
Journal of chemical theory and computation 7 (9), 2780-2785, 2011
Mandati: Austrian Science Fund
On-the-fly active learning of interatomic potentials for large-scale atomistic simulations
R Jinnouchi, K Miwa, F Karsai, G Kresse, R Asahi
The Journal of Physical Chemistry Letters 11 (17), 6946-6955, 2020
Mandati: Austrian Science Fund
Indirect-to-direct gap transition in strained and unstrained alloys
C Eckhardt, K Hummer, G Kresse
Physical Review B 89 (16), 165201, 2014
Mandati: Austrian Science Fund
Anionic chemistry of noble gases: formation of Mg–NG (NG= Xe, Kr, Ar) compounds under pressure
M Miao, X Wang, J Brgoch, F Spera, MG Jackson, G Kresse, H Lin
Journal of the American Chemical Society 137 (44), 14122-14128, 2015
Mandati: National Natural Science Foundation of China
Le informazioni sulla pubblicazione e sul finanziamento vengono stabilite automaticamente da un software