Paula Mori-Sanchez
Paula Mori-Sanchez
Verified email at uam.es
Title
Cited by
Cited by
Year
Revealing noncovalent interactions
ER Johnson, S Keinan, P Mori-Sánchez, J Contreras-García, AJ Cohen, ...
Journal of the American Chemical Society 132 (18), 6498-6506, 2010
30312010
Insights into current limitations of density functional theory
AJ Cohen, P Mori-Sánchez, W Yang
Science 321 (5890), 792-794, 2008
18832008
Challenges for density functional theory
AJ Cohen, P Mori-Sánchez, W Yang
Chemical reviews 112 (1), 289-320, 2012
15962012
Localization and delocalization errors in density functional theory and implications for band-gap prediction
P Mori-Sánchez, AJ Cohen, W Yang
Physical review letters 100 (14), 146401, 2008
8852008
Many-electron self-interaction error in approximate density functionals
P Mori-Sánchez, AJ Cohen, W Yang
The Journal of chemical physics 125 (20), 201102, 2006
5682006
Fractional charge perspective on the band gap in density-functional theory
AJ Cohen, P Mori-Sánchez, W Yang
Physical Review B 77 (11), 115123, 2008
4032008
Development of exchange-correlation functionals with minimal many-electron self-interaction error
AJ Cohen, P Mori-Sánchez, W Yang
The Journal of chemical physics 126 (19), 191109, 2007
3122007
Discontinuous nature of the exchange-correlation functional in strongly correlated systems
P Mori-Sánchez, AJ Cohen, W Yang
Physical review letters 102 (6), 066403, 2009
2172009
Fractional spins and static correlation error in density functional theory
AJ Cohen, P Mori-Sánchez, W Yang
The Journal of chemical physics 129 (12), 121104, 2008
2022008
Self-interaction-free exchange-correlation functional for thermochemistry and kinetics
P Mori-Sánchez, AJ Cohen, W Yang
The Journal of chemical physics 124 (9), 091102, 2006
1812006
Improving band gap prediction in density functional theory from molecules to solids
X Zheng, AJ Cohen, P Mori-Sánchez, X Hu, W Yang
Physical review letters 107 (2), 026403, 2011
1472011
Delocalization errors in density functionals and implications for main-group thermochemistry
ER Johnson, P Mori-Sánchez, AJ Cohen, W Yang
The Journal of chemical physics 129 (20), 204112, 2008
1462008
Accurate polymer polarizabilities with exact exchange density-functional theory
P Mori-Sánchez, Q Wu, W Yang
The Journal of chemical physics 119 (21), 11001-11004, 2003
1452003
Non-nuclear maxima of the electron density
AM Pendás, MA Blanco, A Costales, PM Sánchez, V Luaña
Physical review letters 83 (10), 1930, 1999
1431999
A classification of covalent, ionic, and metallic solids based on the electron density
P Mori-Sánchez, AM Pendás, V Luaña
Journal of the American Chemical Society 124 (49), 14721-14723, 2002
1332002
Derivative discontinuity, bandgap and lowest unoccupied molecular orbital in density functional theory
W Yang, AJ Cohen, P Mori-Sanchez
The Journal of chemical physics 136 (20), 204111, 2012
1322012
Compressibility and thermal expansion of cubic silicon nitride
JZ Jiang, H Lindelov, L Gerward, K Ståhl, JM Recio, P Mori-Sanchez, ...
Physical review B 65 (16), 161202, 2002
1212002
Orbital-dependent correlation energy in density-functional theory based on a second-order perturbation approach: Success and failure
P Mori-Sánchez, Q Wu, W Yang
The Journal of chemical physics 123 (6), 062204, 2005
1042005
Rigorous characterization of oxygen vacancies in ionic oxides
P Mori-Sanchez, JM Recio, B Silvi, C Sousa, AM Pendás, V Luaña, F Illas
Physical Review B 66 (7), 075103, 2002
782002
Quantum-mechanical analysis of the equation of state of anatase TiO 2
M Calatayud, P Mori-Sánchez, A Beltrán, AM Pendás, E Francisco, ...
Physical Review B 64 (18), 184113, 2001
782001
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Articles 1–20