J
Jianwei Sun
Researcher at Tulane University
Publications - 142
Citations - 11307
Jianwei Sun is an academic researcher from Tulane University. The author has contributed to research in topics: Density functional theory & Hybrid functional. The author has an hindex of 39, co-authored 119 publications receiving 8507 citations. Previous affiliations of Jianwei Sun include Budapest University of Technology and Economics & Temple University.
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Strongly Constrained and Appropriately Normed Semilocal Density Functional.
TL;DR: In this article, the first meta-generalized-gradient approximation (meta-GGA) that is fully constrained, obeying all 17 known exact constraints that a meta GGA can, was proposed.
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Strongly Constrained and Appropriately Normed Semilocal Density Functional
TL;DR: In this paper, the first meta-generalized gradient approximation (GGA) that is fully constrained, obeying all 17 known exact constraints that a meta-GGA can, was proposed.
Journal ArticleDOI
Density functional theory is straying from the path toward the exact functional.
TL;DR: The energy-minimizing electron densities for atomic species, as produced by 128 historical and modern DFT functionals, were found to become closer to the exact ones until the early 2000s, when this trend was reversed by unconstrained functionals sacrificing physical rigor for the flexibility of empirical fitting.
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Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
Jianwei Sun,Richard C. Remsing,Yubo Zhang,Zhaoru Sun,Adrienn Ruzsinszky,Haowei Peng,Zeng-hui Yang,Arpita Paul,Umesh V. Waghmare,Xifan Wu,Michael L. Klein,John P. Perdew +11 more
TL;DR: It is shown that the recently developed non-empirical strongly constrained and appropriately normed SCAN meta-generalized gradient approximation (meta-GGA) within the density functional theory framework predicts accurate geometries and energies of diversely bonded molecules and materials.
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Workhorse semilocal density functional for condensed matter physics and quantum chemistry.
TL;DR: The construction principle for one of them (restoring the density gradient expansion for exchange over a wide range of densities) can be used to construct a "revised TPSS" meta-GGA with accurate lattice constants, surface energies, and atomization energies for ordinary matter.