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 | 7574 | 2010 |
Insights into current limitations of density functional theory AJ Cohen, P Mori-Sánchez, W Yang Science 321 (5890), 792-794, 2008 | 2817 | 2008 |
Challenges for density functional theory AJ Cohen, P Mori-Sánchez, W Yang Chemical reviews 112 (1), 289-320, 2012 | 2738 | 2012 |
Left-right correlation energy NC Handy, AJ Cohen Molecular Physics 99 (5), 403-412, 2001 | 1915 | 2001 |
Development and assessment of new exchange-correlation functionals FA Hamprecht, AJ Cohen, DJ Tozer, NC Handy The Journal of chemical physics 109 (15), 6264-6271, 1998 | 1761 | 1998 |
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 | 1370 | 2008 |
Many-electron self-interaction error in approximate density functionals P Mori-Sánchez, AJ Cohen, W Yang The Journal of chemical physics 125 (20), 2006 | 851 | 2006 |
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 | 675 | 2008 |
Assessment of a new local exchange functional OPTX WM Hoe, AJ Cohen, NC Handy Chemical Physics Letters 341 (3-4), 319-328, 2001 | 652 | 2001 |
Dynamic correlation AJ Cohen, NC Handy Molecular Physics 99 (7), 607-615, 2001 | 488 | 2001 |
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 | 397 | 2007 |
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 | 316 | 2008 |
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 | 313 | 2021 |
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 | 306 | 2009 |
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 | 234 | 2011 |
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 | 214 | 2006 |
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 | 211 | 2008 |
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 | 206 | 2012 |
Influence of Coulomb-attenuation on exchange–correlation functional quality MJG Peach, AJ Cohen, DJ Tozer Physical Chemistry Chemical Physics 8 (39), 4543-4549, 2006 | 163 | 2006 |
Assessment of exchange correlation functionals AJ Cohen, NC Handy Chemical Physics Letters 316 (1-2), 160-166, 2000 | 132 | 2000 |