Theo dơi
Jianwei Sun
Jianwei Sun
Associate Professor of Department of Physics and Engineering Physics, Tulane University
Email được xác minh tại tulane.edu
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
Strongly Constrained and Appropriately Normed Semilocal Density Functional
J Sun, A Ruzsinszky, JP Perdew
Physical Review Letters 115 (3), 036402, 2015
34882015
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
10452017
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, 2016
9512016
Workhorse semilocal density functional for condensed matter physics and quantum chemistry
JP Perdew, A Ruzsinszky, GI Csonka, LA Constantin, J Sun
Physical review letters 103 (2), 026403, 2009
7562009
Accurate and numerically efficient rSCAN meta-generalized gradient approximation
JW Furness, AD Kaplan, J Ning, JP Perdew, J Sun
arXiv preprint arXiv:2008.03374, 2020
7182020
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
7112016
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
5602017
Some fundamental issues in ground-state density functional theory: A guide for the perplexed
JP Perdew, A Ruzsinszky, LA Constantin, J Sun, GI Csonka
Journal of Chemical Theory and Computation 5 (4), 902-908, 2009
4682009
Energetics of MnO 2 polymorphs in density functional theory
DA Kitchaev, H Peng, Y Liu, J Sun, JP Perdew, G Ceder
Physical Review B 93 (4), 045132, 2016
2832016
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 84 (3), 035117, 2011
2832011
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
2642017
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, 201713320, 2017
2402017
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), 044113, 2013
2312013
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
2302013
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
2262018
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
1982016
Communication: Effect of the orbital-overlap dependence in the meta generalized gradient approximation
J Sun, B Xiao, A Ruzsinszky
Journal of Chemical Physics 137 (5), 051101, 2012
1722012
DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science
AM Teale, T Helgaker, A Savin, C Adano, B Aradi, AV Arbuznikov, P Ayers, ...
Physical Chemistry Chemical Physics, 2022
1702022
van der Waals bilayer energetics: Generalized stacking-fault energy of graphene, boron nitride, and graphene/boron nitride bilayers
S Zhou, J Han, S Dai, J Sun, DJ Srolovitz
Physical Review B 92 (15), 155438, 2015
1572015
Semilocal density functional obeying a strongly tightened bound for exchange
J Sun, JP Perdew, A Ruzsinszky
Proceedings of the National Academy of Sciences 112 (3), 685-689, 2015
1522015
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