Jianwei Sun
Affiliations: | University of Texas at El Paso, El Paso, TX, United States |
Area:
Density Functional Theory, Electronic Structure Theory, Condensed Matter Physics, Materials Science, and Quantum ChemistryGoogle:
"Jianwei Sun"Mean distance: (not calculated yet)
Cross-listing: Materials Tree
Parents
Sign in to add mentor| John P. Perdew | grad student | 2007-2010 | Tulane | |
| (Revisiting and revising rungs of Jacob's ladder of density functional theory, with application to problems of molecular adsorption on metal surfaces.) | ||||
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Publications
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| Hou L, Irons TJP, Wang Y, et al. (2024) Ab Initio Calculation of Coupling-Constant Averaged Exchange-Correlation Holes for Spherically Symmetric Atoms. The Journal of Physical Chemistry. A. 128: 8521-8532 |
| Burke K, Sun J, Yang W. (2024) Perdew Festschrift editorial. The Journal of Chemical Physics. 160 |
| Zhang Y, Ke D, Wu J, et al. (2024) Challenges for density functional theory in simulating metal-metal singlet bonding: A case study of dimerized VO2. The Journal of Chemical Physics. 160 |
| Ning J, Lane C, Barbiellini B, et al. (2024) Comparing first-principles density functionals plus corrections for the lattice dynamics of YBa2Cu3O6. The Journal of Chemical Physics. 160 |
| Liu H, Bai X, Ning J, et al. (2024) Assessing r2SCAN meta-GGA functional for structural parameters, cohesive energy, mechanical modulus, and thermophysical properties of 3d, 4d, and 5d transition metals. The Journal of Chemical Physics. 160 |
| Hou L, Irons TJP, Wang Y, et al. (2024) Capturing the electron-electron cusp with the coupling-constant averaged exchange-correlation hole: A case study for Hooke's atoms. The Journal of Chemical Physics. 160 |
| Fitzhugh HC, Furness JW, Pederson MR, et al. (2023) Comparative Density Functional Theory Study of Magnetic Exchange Couplings in Dinuclear Transition-Metal Complexes. Journal of Chemical Theory and Computation |
| Kothakonda M, Kaplan AD, Isaacs EB, et al. (2022) Testing the rSCAN Density Functional for the Thermodynamic Stability of Solids with and without a van der Waals Correction. Acs Materials Au. 3: 102-111 |
| Teale AM, Helgaker T, Savin A, et al. (2022) DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical Chemistry Chemical Physics : Pccp |
| Furness JW, Kaplan AD, Ning J, et al. (2022) Construction of meta-GGA functionals through restoration of exact constraint adherence to regularized SCAN functionals. The Journal of Chemical Physics. 156: 034109 |