172 citations · 223 across the 8 of their papers we have counts for
8 papers
Restoring the uniform density limit in Perdew-Zunger self-interaction correction
Benjamin G. Janesko
The Perdew-Zunger self-interaction correction (PZ-SIC) makes approximate density functionals exact for all one-electron densities, but sacrifices exactness for uniform densities. I…
Simulating one hundred entangled atoms using projected-interacting full configuration interaction wavefunctions corrected by projected density functionals
Benjamin G. Janesko
Simulating entangled atoms is a prerequisite to modeling quantum materials and remains an outstanding challenge for theory. I introduce a correlated wavefunction approach capable o…
DFT+U Type Strong Correlation Functional Derived from Multiconfigurational Wavefunction Theory
Benjamin G. Janesko
We present a DFT+U-type functional for strong correlation, derived from multiconfigurational wavefunction theory. The reference system experiences electron-electron interactions on…
Projected Hybrid Density Functionals: Method and Application to Core Electron Ionization
Benjamin G. Janesko
This work presents a new class of hybrid density functional theory (DFT) approximations, incorporating nonlocal exact exchange in predefined states such as core atomic orbitals (AO…
Unification of Perdew-Zunger Self-Interaction Correction, DFT+U, and Rung 3.5 Density Functionals
Benjamin G. Janesko
We unify the Perdew-Zunger self-interaction correction (PZSIC) to approximate density functional theory (DFT), the Hubbard correction DFT+U, and Rung 3.5 functionals within the Adi…
Systematically Improvable Generalization of Self-Interaction Corrected Density Functional Theory
Benjamin G. Janesko
Perdew-Zunger self-interaction correction (PZSIC) reintroduces an exact constraint to approximate density functional theory (DFT), but can paradoxically degrade performance and is…