Прати
Martijn Marsman
Martijn Marsman
University Vienna, Faculty of Physics and Center for Computational Materials Science
Верификована је имејл адреса на univie.ac.at
Наслов
Навело
Навело
Година
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
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
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
Accurate Quasiparticle Spectra from Self-Consistent GW Calculations with Vertex Corrections
M Shishkin, M Marsman, G Kresse
Physical review letters 99 (24), 246403, 2007
8522007
Hybrid functionals applied to extended systems
M Marsman, J Paier, A Stroppa, G Kresse
Journal of Physics: Condensed Matter 20 (6), 064201, 2008
7732008
Why does the B3LYP hybrid functional fail for metals?
J Paier, M Marsman, G Kresse
The Journal of chemical physics 127 (2), 2007
6872007
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
6342010
V. peybroeck, JM Wills, JR Yates, GX Zhang, S. Cottenier
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351, 1415-1423, 2016
4512016
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
3922010
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—Condensed Matter and Materials Physics 75 (19), 195128, 2007
3702007
Dielectric properties and excitons for extended systems from hybrid functionals
J Paier, M Marsman, G Kresse
Physical Review B—Condensed Matter and Materials Physics 78 (12), 121201, 2008
3332008
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
3162011
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
3102009
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
2922011
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
2572009
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
2062010
Broken symmetries in the crystalline and magnetic structures of γ-iron
M Marsman, J Hafner
Physical Review B 66 (22), 224409, 2002
1692002
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
1672012
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
1592011
: 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
1502009
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Чланци 1–20