papers
Publications (16)
cond-mat.mtrl-sci2017
Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA
Yubo Zhang, Jianwei Sun, John P. Perdew +1
cond-mat.mtrl-sci2016
More-Realistic Band Gaps from Meta-Generalized Gradient Approximations: Only in a Generalized Kohn-Sham Scheme
Zeng-hui Yang, Haowei Peng, Jianwei Sun +1
cond-mat.str-el2018
Antiferromagnetic Ground State of La$_{2}$CuO$_{4}$: A Parameter-free Ab Initio Description
Christopher Lane, James W. Furness, Ioana Gianina Buda +5
cond-mat.mtrl-sci2017
Understanding Band Gaps of Solids in Generalized Kohn-Sham Theory
John P. Perdew, Weitao Yang, Kieron Burke +11
physics.chem-ph2013
Semilocal and Hybrid Meta-Generalized Gradient Approximations Based on the Understanding of the Kinetic-Energy-Density Dependence
Jianwei Sun, Robin Haunschild, Bing Xiao +3
cond-mat.mtrl-sci2013
Density Functionals that Recognize Covalent, Metallic, and Weak Bonds
Jianwei Sun, Bing Xiao, Yuan Fang +6
physics.chem-ph2018
Enhancing the efficiency of density functionals with a novel iso-orbital indicator
James W Furness, Jianwei Sun
physics.chem-ph2015
Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions
Alejandro J. Garza, Ireneusz W. Bulik, Ana G. Sousa Alencar +3
cond-mat.mtrl-sci2015
Strongly Constrained and Appropriately Normed Semilocal Density Functional
Jianwei Sun, Adrienn Ruzsinszky, John P. Perdew
physics.chem-ph2012
Effect of orbital-overlap dependence in density functionals
Jianwei Sun, Bing Xiao, Adrienn Ruzsinszky
cond-mat.mtrl-sci2009
Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry
John P. Perdew, Adrienn Ruzsinszky, Gabor I. Csonka +2
physics.chem-ph2014
Gedanken Densities and Exact Constraints in Density Functional Theory
John P. Perdew, Adrienn Ruzsinszky, Jianwei Sun +1
physics.chem-ph2016
Near-locality of exchange and correlation density functionals for 1- and 2-electron systems
Jianwei Sun, John P. Perdew, Zenghui Yang +1
cond-mat.mtrl-sci2019
Re-thinking CO adsorption on transition-metal surfaces: Density-driven error?
Abhirup Patra, Haowei Peng, Jianwei Sun +1
cond-mat.mtrl-sci2015
SCAN: An Efficient Density Functional Yielding Accurate Structures and Energies of Diversely-Bonded Materials
Jianwei Sun, Richard C. Remsing, Yubo Zhang +9
cond-mat.mtrl-sci2016
SCAN+rVV10: A promising van der Waals density functional
Haowei Peng, Zeng-Hui Yang, Jianwei Sun +1