17 citations · 30 across the 4 of their papers we have counts for
4 papers · 1 filter
Geometric direct minimization for low-spin restricted open-shell Hartree-Fock
Hugh G. A. Burton
It has recently been shown that configuration state functions (CSF) with local orbitals can provide a compact reference state for low-spin open-shell electronic structures, such as…
Excited state-specific CASSCF theory for the torsion of ethylene
Sandra Saade, Hugh G. A. Burton
State-specific complete active space self-consistent field (SS-CASSCF) theory has emerged as a promising route to accurately predict electronically excited energy surfaces away fro…
Rationale for the Extrapolation Procedure in Selected Configuration Interaction
Hugh G. A. Burton, Pierre-François Loos
Selected configuration interaction (SCI) methods have emerged as state-of-the-art methodologies for achieving high accuracy and generating benchmark reference data for ground and e…
Can Handle Multireference Systems?
Abdallah Ammar, Antoine Marie, Mauricio Rodríguez-Mayorga +2
Due to the infinite summation of bubble diagrams, the approximation of Green's function perturbation theory has proven particularly effective in the weak correlation regime, w…