12 citations · 12 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024
Learning local and semi-local density functionals from exact exchange-correlation potentials and energies
Bikash Kanungo, Jeffrey Hatch, Paul M. Zimmerman +1
Finding accurate exchange-correlation (XC) functionals remains the defining challenge in density functional theory (DFT). Despite 40 years of active development, the desired chemic…
physics.chem-ph2023★ 12 cited
Exact and model exchange-correlation potentials for open-shell systems
Bikash Kanungo, Jeffrey Hatch, Paul M. Zimmerman +1
The conventional approaches to the inverse density functional theory problem typically assume non-degeneracy of the Kohn-Sham (KS) eigenvalues, greatly hindering their use in open-…