activity
20182026
most citedA hybrid approach to excited-state-specific variational Monte Carlo and doubly excited states

29 citations · 58 across the 6 of their papers we have counts for

collaborators
Showing 2026Show all

1 paper · 1 filter

physics.chem-ph2026

Selecting optimal unrestricted Hartree-Fock trial wavefunctions for phaseless auxiliary-field quantum Monte Carlo: Accuracy and limitations in modeling three iron-sulfur clusters

Don Danilov, Brad Ganoe, Leon Otis +3

Phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) has emerged as a promising electronic structure method for correlated electronic systems. However, the quality of its predi…