Climbing the density functional ladder: Nonempirical meta–generalized gradient approximation designed for molecules and solids J Tao, JP Perdew, VN Staroverov, GE Scuseria Physical review letters 91 (14), 146401, 2003 | 6901 | 2003 |
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes VN Staroverov, GE Scuseria, J Tao, JP Perdew The Journal of chemical physics 119 (23), 12129-12137, 2003 | 2470 | 2003 |
Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits JP Perdew, A Ruzsinszky, J Tao, VN Staroverov, GE Scuseria, GI Csonka The Journal of chemical physics 123 (6), 062201, 2005 | 1145 | 2005 |
Meta-generalized gradient approximation: Explanation of a realistic nonempirical density functional JP Perdew, J Tao, VN Staroverov, GE Scuseria The Journal of chemical physics 120 (15), 6898-6911, 2004 | 536 | 2004 |
Tests of a ladder of density functionals for bulk solids and surfaces VN Staroverov, GE Scuseria, J Tao, JP Perdew Physical Review B 69 (7), 075102, 2004 | 500 | 2004 |
Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction JP Perdew, VN Staroverov, J Tao, GE Scuseria Physical Review A 78 (5), 052513, 2008 | 269 | 2008 |
Exchange and correlation in open systems of fluctuating electron number JP Perdew, A Ruzsinszky, GI Csonka, OA Vydrov, GE Scuseria, ... Physical Review A 76 (4), 040501, 2007 | 165 | 2007 |
Test of a nonempirical density functional: Short-range part of the van der Waals interaction in rare-gas dimers J Tao, JP Perdew The Journal of chemical physics 122 (11), 114102, 2005 | 136 | 2005 |
Accurate semilocal density functional for condensed-matter physics and quantum chemistry J Tao, Y Mo Physical Review Letters 117 (7), 073001, 2016 | 133 | 2016 |
Exact-exchange energy density in the gauge of a semilocal density-functional approximation J Tao, VN Staroverov, GE Scuseria, JP Perdew Physical Review A 77 (1), 012509, 2008 | 122 | 2008 |
Performance of meta-GGA functionals on general main group thermochemistry, kinetics, and noncovalent interactions P Hao, J Sun, B Xiao, A Ruzsinszky, GI Csonka, J Tao, S Glindmeyer, ... Journal of Chemical Theory and Computation 9 (1), 355-363, 2013 | 88 | 2013 |
Meta-generalized gradient approximation for the exchange-correlation hole with an application to the jellium surface energy LA Constantin, JP Perdew, J Tao Physical Review B 73 (20), 205104, 2006 | 88 | 2006 |
Long-range van der Waals attraction and alkali-metal lattice constants J Tao, JP Perdew, A Ruzsinszky Physical Review B 81 (23), 233102, 2010 | 80 | 2010 |
Van der Waals coefficients for nanostructures: fullerenes defy conventional wisdom A Ruzsinszky, JP Perdew, J Tao, GI Csonka, JM Pitarke Physical review letters 109 (23), 233203, 2012 | 79 | 2012 |
Accurate van der Waals coefficients from density functional theory J Tao, JP Perdew, A Ruzsinszky Proceedings of the National Academy of Sciences 109 (1), 18-21, 2012 | 77 | 2012 |
Energies of organic molecules and atoms in density functional theory GI Csonka, A Ruzsinszky, J Tao, JP Perdew International journal of quantum chemistry 101 (5), 506-511, 2005 | 73 | 2005 |
Nonempirical construction of current-density functionals from conventional density-functional approximations J Tao, JP Perdew Physical review letters 95 (19), 196403, 2005 | 68 | 2005 |
Physical Adsorption: Theory of van der Waals Interactions between particles and clean surfaces J Tao, AM Rappe Physical Review Letters 112 (10), 106101, 2014 | 67 | 2014 |
How correlation suppresses density fluctuations in the uniform electron gas of one, two, or three dimensions P Ziesche, J Tao, M Seidl, JP Perdew International Journal of Quantum Chemistry 77 (5), 819-830, 2000 | 50 | 2000 |
Assessment of the Tao-Mo nonempirical semilocal density functional in applications to solids and surfaces Y Mo, R Car, VN Staroverov, GE Scuseria, J Tao Physical Review B 95 (3), 035118, 2017 | 47 | 2017 |