James W Furness
Tulane University
H-index: 16
North America-United States
Top articles of James W Furness
Coupling-Constant Averaged Exchange-Correlation Hole for He, Li, Be, N, Ne Atoms from CCSD
arXiv preprint arXiv:2403.17424
2024/3/26
Explorations and discoveries of complex materials with novel properties using advanced density functional theory
Bulletin of the American Physical Society
2024/3/5
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
2024/1/7
Emergence of competing electronic states from non-integer nuclear charges
APS March Meeting Abstracts
2023
Comparative Density Functional Theory Study of Magnetic Exchange Couplings in Dinuclear Transition-Metal Complexes
Journal of Chemical Theory and Computation
2023/8/15
James W Furness
H-Index: 10
Jianwei Sun
H-Index: 30
Effect of Electron-electron Cusp Condition on the Exchange-Correlation (XC) Hole Studied with Hooke's atoms
APS March Meeting Abstracts
2023
Construction of meta-GGA functionals through restoration of exact constraint adherence to regularized SCAN functionals
The Journal of Chemical Physics
2022/1/21
Tuning strong correlation and charge transfer competition using fractional nuclear charge: emergence of exotic metal-insulator transitions in a 1D hydrogen-like chain
APS March Meeting Abstracts
2022
The exchange-correlation (XC) hole of the hydrogen molecule with fractional nuclear charge
APS March Meeting Abstracts
2022
Ab initio study of pressure-dependence of overdoped YBa2Cu3O7
APS March Meeting Abstracts
2022
Tuning electronic correlation in atomic chains with fractional nuclear charge
APS March Meeting Abstracts
2022
Magnetic order in a metal thiocyanate perovskite-analogue
CrystEngComm
2022
Testing the r2SCAN Density Functional for the Thermodynamic Stability of Solids with and without a van der Waals Correction
ACS Materials Au
2022/11/9
Exact constraints and appropriate norms in machine-learned exchange-correlation functionals
The Journal of Chemical Physics
2022/5/27
Workhorse minimally empirical dispersion-corrected density functional with tests for weakly bound systems:
Physical Review B
2022/8/23
Reliable lattice dynamics from an efficient density functional approximation
Chemistry of Materials
2022/2/28
Sensitivity of the electronic and magnetic structures of cuprate superconductors to density functional approximations
npj Computational Materials
2022/2/11
Self-consistent field methods for excited states in strong magnetic fields: A comparison between energy-and variance-based approaches
Journal of Chemical Theory and Computation
2021/8/16
James W Furness
H-Index: 10
A paradigm system for strong correlation and charge transfer competition
arXiv preprint arXiv:2103.03178
2021/3/4
r2SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications
The Journal of Chemical Physics
2021/2/14