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Martijn Marsman
Martijn Marsman
University Vienna, Faculty of Physics and Center for Computational Materials Science
Bestätigte E-Mail-Adresse bei univie.ac.at
Titel
Zitiert von
Zitiert von
Jahr
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
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
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
Accurate Quasiparticle Spectra from Self-Consistent GW Calculations with Vertex Corrections
M Shishkin, M Marsman, G Kresse
Physical review letters 99 (24), 246403, 2007
7332007
Hybrid functionals applied to extended systems
M Marsman, J Paier, A Stroppa, G Kresse
Journal of Physics: Condensed Matter 20 (6), 064201, 2008
6602008
Why does the B3LYP hybrid functional fail for metals?
J Paier, M Marsman, G Kresse
The Journal of chemical physics 127 (2), 024103, 2007
5742007
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
5212010
Ground-state properties of multivalent manganese oxides: Density functional and hybrid density functional calculations
C Franchini, R Podloucky, J Paier, M Marsman, G Kresse
Physical Review B 75 (19), 195128, 2007
3252007
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 82 (20), 205212, 2010
3102010
Dielectric properties and excitons for extended systems from hybrid functionals
J Paier, M Marsman, G Kresse
Physical Review B 78 (12), 121201, 2008
2872008
Electric control of magnetization and interplay between orbital ordering and ferroelectricity in a multiferroic metal–organic framework
A Stroppa, P Jain, P Barone, M Marsman, JM Perez‐Mato, AK Cheetham, ...
Angewandte Chemie International Edition 50 (26), 5847-5850, 2011
2812011
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), 154115, 2009
2562009
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 84 (3), 035117, 2011
2202011
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), 184103, 2009
2172009
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), 074107, 2010
1652010
Broken symmetries in the crystalline and magnetic structures of γ-iron
M Marsman, J Hafner
Physical Review B 66 (22), 224409, 2002
1602002
Structural and magnetic isomers of small Pd and Rh clusters: an ab initio density functional study
T Futschek, M Marsman, J Hafner
Journal of Physics: Condensed Matter 17 (38), 5927, 2005
1452005
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
1382012
: A noncentrosymmetric BCS-like superconductor
E Bauer, RT Khan, H Michor, E Royanian, A Grytsiv, ...
Physical Review B 80 (6), 064504, 2009
1252009
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 87 (21), 214102, 2013
1182013
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