Takip et
Joachim Paier
Joachim Paier
Humboldt-Universität zu Berlin
chemie.hu-berlin.de üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
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
27372006
Defect energetics in ZnO: A hybrid Hartree-Fock density functional study
F Oba, A Togo, I Tanaka, J Paier, G Kresse
Physical Review B—Condensed Matter and Materials Physics 77 (24), 245202, 2008
14672008
Oxygen defects and surface chemistry of ceria: quantum chemical studies compared to experiment
J Paier, C Penschke, J Sauer
Chemical reviews 113 (6), 3949-3985, 2013
10632013
Assessing the performance of recent density functionals for bulk solids
GI Csonka, JP Perdew, A Ruzsinszky, PHT Philipsen, S Lebègue, J Paier, ...
Physical Review B—Condensed Matter and Materials Physics 79 (15), 155107, 2009
10632009
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
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
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
5652009
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
Accurate treatment of solids with the HSE screened hybrid
TM Henderson, J Paier, GE Scuseria
physica status solidi (b) 248 (4), 767-774, 2011
3542011
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
The AM05 density functional applied to solids
AE Mattsson, R Armiento, J Paier, G Kresse, JM Wills, TR Mattsson
The Journal of chemical physics 128 (8), 2008
3042008
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
Photochemistry of ethylene: A multireference configuration interaction investigation of the excited-state energy surfaces
M Barbatti, J Paier, H Lischka
The Journal of chemical physics 121 (23), 11614-11624, 2004
2202004
Density functional theory study of MnO by a hybrid functional approach
C Franchini, V Bayer, R Podloucky, J Paier, G Kresse
Physical Review B—Condensed Matter and Materials Physics 72 (4), 045132, 2005
2192005
Van der Waals interactions in ionic and semiconductor solids
GX Zhang, A Tkatchenko, J Paier, H Appel, M Scheffler
Physical review letters 107 (24), 245501, 2011
2052011
Sites for methane activation on lithium‐doped magnesium oxide surfaces
K Kwapien, J Paier, J Sauer, M Geske, U Zavyalova, R Horn, P Schwach, ...
Angewandte Chemie International Edition 53 (33), 8774-8778, 2014
1902014
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
1872010
Assessment of correlation energies based on the random-phase approximation
J Paier, X Ren, P Rinke, GE Scuseria, A Grüneis, G Kresse, M Scheffler
New Journal of Physics 14 (4), 043002, 2012
1832012
CO adsorption on metal surfaces: A hybrid functional study with plane-wave basis set
A Stroppa, K Termentzidis, J Paier, G Kresse, J Hafner
Physical Review B—Condensed Matter and Materials Physics 76 (19), 195440, 2007
1752007
Sistem, işlemi şu anda gerçekleştiremiyor. Daha sonra yeniden deneyin.
Makaleler 1–20