Articoli con mandati relativi all'accesso pubblico - Martijn MarsmanUlteriori informazioni
Non disponibili pubblicamente: 9
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
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
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
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
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
Fast iterative interior eigensolver for millions of atoms
G Jordan, M Marsman, YS Kim, G Kresse
Journal of Computational Physics 231 (14), 4836-4847, 2012
Mandati: Austrian Science Fund
Nonlinear behavior of the band gap of from first principles
A Grueneis, K Hummer, M Marsman, G Kresse
Physical Review B—Condensed Matter and Materials Physics 78 (16), 165103, 2008
Mandati: Austrian Science Fund
p-electron magnetism in doped BaTiO3− xMx (M= C, N, B)
C Gruber, PO Bedolla-Velazquez, J Redinger, P Mohn, M Marsman
Europhysics Letters 97 (6), 67008, 2012
Mandati: Austrian Science Fund
Disponibili pubblicamente: 29
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
Mandati: US National Science Foundation, US Department of Energy, Swiss National …
Towards efficient band structure and effective mass calculations for III-V direct band-gap semiconductors
YS Kim, M Marsman, G Kresse, F Tran, P Blaha
Physical Review B—Condensed Matter and Materials Physics 82 (20), 205212, 2010
Mandati: Austrian Science Fund
Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method
J Sun, M Marsman, GI Csonka, A Ruzsinszky, P Hao, YS Kim, G Kresse, ...
Physical Review B—Condensed Matter and Materials Physics 84 (3), 035117, 2011
Mandati: Austrian Science Fund
Maximally localized Wannier functions in LaMnO3 within PBE+ U, hybrid functionals and partially self-consistent GW: an efficient route to construct ab initio tight-binding …
C Franchini, R Kováčik, M Marsman, SS Murthy, J He, C Ederer, G Kresse
Journal of Physics: Condensed Matter 24 (23), 235602, 2012
Mandati: Austrian Science Fund, Science Foundation Ireland
: A noncentrosymmetric BCS-like superconductor
E Bauer, RT Khan, H Michor, E Royanian, A Grytsiv, ...
Physical Review B—Condensed Matter and Materials Physics 80 (6), 064504, 2009
Mandati: Austrian Science Fund
Lattice constants and cohesive energies of alkali, alkaline-earth, and transition metals: Random phase approximation and density functional theory results
L Schimka, R Gaudoin, J Klimeš, M Marsman, G Kresse
Physical Review B—Condensed Matter and Materials Physics 87 (21), 214102, 2013
Mandati: Austrian Science Fund
The multiferroic phase of DyFeO3: an ab initio study
A Stroppa, M Marsman, G Kresse, S Picozzi
New Journal of Physics 12 (9), 093026, 2010
Mandati: Austrian Science Fund
Anisotropic magnetic couplings and structure-driven canted to collinear transitions in by magnetically constrained noncollinear DFT
P Liu, S Khmelevskyi, B Kim, M Marsman, D Li, XQ Chen, DD Sarma, ...
Physical Review B 92 (5), 054428, 2015
Mandati: Austrian Science Fund, Department of Science & Technology, India
Improved lattice constants, surface energies, and CO desorption energies from a semilocal density functional
J Sun, M Marsman, A Ruzsinszky, G Kresse, JP Perdew
Physical Review B—Condensed Matter and Materials Physics 83 (12), 121410, 2011
Mandati: Austrian Science Fund
Iron as a source of efficient Shockley-Read-Hall recombination in GaN
D Wickramaratne, JX Shen, CE Dreyer, M Engel, M Marsman, G Kresse, ...
Applied Physics Letters 109 (16), 2016
Mandati: US Department of Energy, European Commission
Charge self-consistent many-body corrections using optimized projected localized orbitals
M Schüler, OE Peil, GJ Kraberger, R Pordzik, M Marsman, G Kresse, ...
Journal of Physics: Condensed Matter 30 (47), 475901, 2018
Mandati: Swiss National Science Foundation, Austrian Science Fund, German Research …
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