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 | 7851 | 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 | 2920 | 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), 2005 | 1286 | 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 | 616 | 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 | 542 | 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—Atomic, Molecular, and Optical Physics 78 (5), 052513, 2008 | 298 | 2008 |
Exchange and correlation in open systems of fluctuating electron number JP Perdew, A Ruzsinszky, GI Csonka, OA Vydrov, GE Scuseria, ... Physical Review A—Atomic, Molecular, and Optical Physics 76 (4), 040501, 2007 | 166 | 2007 |
Accurate semilocal density functional for condensed-matter physics and quantum chemistry J Tao, Y Mo Physical Review Letters 117 (7), 073001, 2016 | 151 | 2016 |
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), 2005 | 137 | 2005 |
Exact-exchange energy density in the gauge of a semilocal density-functional approximation J Tao, VN Staroverov, GE Scuseria, JP Perdew Physical Review A—Atomic, Molecular, and Optical Physics 77 (1), 012509, 2008 | 133 | 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 | 101 | 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—Condensed Matter and Materials Physics 73 (20), 205104, 2006 | 94 | 2006 |
Long-range van der Waals attraction and alkali-metal lattice constants J Tao, JP Perdew, A Ruzsinszky Physical Review B—Condensed Matter and Materials Physics 81 (23), 233102, 2010 | 87 | 2010 |
Nonempirical Construction of Current-Density Functionals<? format?> from Conventional Density-Functional Approximations J Tao, JP Perdew Physical review letters 95 (19), 196403, 2005 | 84 | 2005 |
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 | 83 | 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 | 80 | 2012 |
Physical Adsorption: Theory of van der Waals Interactions between particles and clean surfaces J Tao, AM Rappe Physical Review Letters 112 (10), 106101, 2014 | 79 | 2014 |
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 | 76 | 2005 |
Origin of the size-dependence of the equilibrium van der Waals binding between nanostructures J Tao, JP Perdew, H Tang, C Shahi The Journal of Chemical Physics 148 (7), 2018 | 62 | 2018 |
Explicit inclusion of paramagnetic current density in the exchange-correlation functionals of current-density functional theory J Tao Physical Review B—Condensed Matter and Materials Physics 71 (20), 205107, 2005 | 62 | 2005 |