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Paula Mori-Sanchez
Paula Mori-Sanchez
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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
78172010
Insights into current limitations of density functional theory
AJ Cohen, P Mori-Sánchez, W Yang
Science 321 (5890), 792-794, 2008
28532008
Challenges for density functional theory
AJ Cohen, P Mori-Sánchez, W Yang
Chemical reviews 112 (1), 289-320, 2012
27822012
Localization and Delocalization Errors in Density Functional Theory<? format?> and Implications for Band-Gap Prediction
P Mori-Sánchez, AJ Cohen, W Yang
Physical review letters 100 (14), 146401, 2008
13872008
Many-electron self-interaction error in approximate density functionals
P Mori-Sánchez, AJ Cohen, W Yang
The Journal of chemical physics 125 (20), 2006
8632006
Fractional charge perspective on the band gap in density-functional theory
AJ Cohen, P Mori-Sánchez, W Yang
Physical Review B—Condensed Matter and Materials Physics 77 (11), 115123, 2008
6852008
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), 2007
3972007
Pushing the frontiers of density functionals by solving the fractional electron problem
J Kirkpatrick, B McMorrow, DHP Turban, AL Gaunt, JS Spencer, ...
Science 374 (6573), 1385-1389, 2021
3242021
Fractional spins and static correlation error in density functional theory
AJ Cohen, P Mori-Sánchez, W Yang
The Journal of chemical physics 129 (12), 2008
3182008
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
3082009
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
2352011
Self-interaction-free exchange-correlation functional for thermochemistry and kinetics
P Mori-Sánchez, AJ Cohen, W Yang
The Journal of chemical physics 124 (9), 2006
2142006
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), 2008
2132008
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), 2012
2102012
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
1972002
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
1952003
Non-nuclear maxima of the electron density
AM Pendás, MA Blanco, A Costales, PM Sánchez, V Luaña
Physical review letters 83 (10), 1930, 1999
1891999
Educación musical y expresión corporal
PMS Ortega, XM Hernández
Editorial Pueblo y Educación, 2001
1702001
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
1412002
The derivative discontinuity of the exchange–correlation functional
P Mori-Sánchez, AJ Cohen
Physical Chemistry Chemical Physics 16 (28), 14378-14387, 2014
1222014
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Articles 1–20