Articles with public access mandates - John P. PerdewLearn more
Not available anywhere: 4
Electronic density functional theory: recent progress and new directions
JF Dobson, G Vignale, MP Das
Springer Science & Business Media, 2013
Mandates: Australian Research Council
Discontinuity of the exchange-correlation potential: Support for assumptions used to find it
E Sagvolden, JP Perdew
Physical Review A—Atomic, Molecular, and Optical Physics 77 (1), 012517, 2008
Mandates: German Research Foundation
Assessment of a density functional with full exact exchange and balanced non-locality of correlation
CA Jimenez-Hoyos, BG Janesko, GE Scuseria, VN Staroverov, ...
Molecular Physics 107 (8-12), 1077-1088, 2009
Mandates: US National Institutes of Health
Uniform density limit of exchange-correlation energy functionals
JP Perdew, J Tao, S Kümmel
Mandates: German Research Foundation
Available somewhere: 96
Density functional theory is straying from the path toward the exact functional
MG Medvedev, IS Bushmarinov, J Sun, JP Perdew, KA Lyssenko
Science 355 (6320), 49-52, 2017
Mandates: US National Science Foundation
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
J Sun, RC Remsing, Y Zhang, Z Sun, A Ruzsinszky, H Peng, Z Yang, ...
Nature chemistry 8 (9), 831-836, 2016
Mandates: US National Science Foundation, US Department of Energy
Versatile van der Waals density functional based on a meta-generalized gradient approximation
H Peng, ZH Yang, JP Perdew, J Sun
Physical Review X 6 (4), 041005, 2016
Mandates: US Department of Energy
The performance of semilocal and hybrid density functionals in 3d transition-metal chemistry
F Furche, JP Perdew
The Journal of chemical physics 124 (4), 2006
Mandates: German Research Foundation
Accurate and Numerically Efficient r2SCAN Meta-Generalized Gradient Approximation
JW Furness, AD Kaplan, J Ning, JP Perdew, J Sun
The journal of physical chemistry letters 11 (19), 8208-8215, 2020
Mandates: US Department of Energy
Understanding band gaps of solids in generalized Kohn–Sham theory
JP Perdew, W Yang, K Burke, Z Yang, EKU Gross, M Scheffler, ...
Proceedings of the national academy of sciences 114 (11), 2801-2806, 2017
Mandates: US Department of Energy, German Research Foundation
Ab initio theory and modeling of water
M Chen, HY Ko, RC Remsing, MF Calegari Andrade, B Santra, Z Sun, ...
Proceedings of the National Academy of Sciences 114 (41), 10846-10851, 2017
Mandates: US National Science Foundation, US Department of Energy
Energetics of polymorphs in density functional theory
DA Kitchaev, H Peng, Y Liu, J Sun, JP Perdew, G Ceder
Physical Review B 93 (4), 045132, 2016
Mandates: US Department of Energy
Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method
J Sun, M Marsman, GI Csonka, A Ruzsinszky, P Hao, YS Kim, G Kresse, ...
Physical Review B—Condensed Matter and Materials Physics 84 (3), 035117, 2011
Mandates: Austrian Science Fund
Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA
Y Zhang, J Sun, JP Perdew, X Wu
Physical Review B 96 (3), 035143, 2017
Mandates: US National Science Foundation, US Department of Energy, US Department of …
Effect of Intercalated Metals on the Electrocatalytic Activity of 1T-MoS2 for the Hydrogen Evolution Reaction
NH Attanayake, AC Thenuwara, A Patra, YV Aulin, TM Tran, ...
ACS Energy Letters 3 (1), 7-13, 2017
Mandates: US National Science Foundation, US Department of Energy
Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality
A Patra, JE Bates, J Sun, JP Perdew
Proceedings of the National Academy of Sciences 114 (44), E9188-E9196, 2017
Mandates: US National Science Foundation, US Department of Energy
Density functionals that recognize covalent, metallic, and weak bonds
J Sun, B Xiao, Y Fang, R Haunschild, P Hao, A Ruzsinszky, GI Csonka, ...
Physical review letters 111 (10), 106401, 2013
Mandates: German Research Foundation
Semilocal and hybrid meta-generalized gradient approximations based on the understanding of the kinetic-energy-density dependence
J Sun, R Haunschild, B Xiao, IW Bulik, GE Scuseria, JP Perdew
The Journal of chemical physics 138 (4), 2013
Mandates: German Research Foundation
Efficient first-principles prediction of solid stability: Towards chemical accuracy
Y Zhang, DA Kitchaev, J Yang, T Chen, ST Dacek, RA Sarmiento-Pérez, ...
npj Computational Materials 4 (1), 9, 2018
Mandates: US Department of Energy, US Department of Defense, German Research Foundation
More realistic band gaps from meta-generalized gradient approximations: Only in a generalized Kohn-Sham scheme
Z Yang, H Peng, J Sun, JP Perdew
Physical review B 93 (20), 205205, 2016
Mandates: US National Science Foundation, US Department of Energy
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