29 citations · 29 across the 2 of their papers we have counts for
3 papers
Stochastic multi-configurational self-consistent field theory
Robert E. Thomas, Qiming Sun, Ali Alavi +1
The multi-configurational self-consistent field theory is considered the standard starting point for almost all multireference approaches required for strongly-correlated molecular…
Analytic nuclear forces and molecular properties from full configuration interaction quantum Monte Carlo
Robert E. Thomas, Daniel Opalka, Catherine Overy +3
Unbiased stochastic sampling of the one- and two-body reduced density matrices is achieved in full configuration interaction quantum Monte Carlo with the introduction of a second,…
Emergence of Critical Phenomena in Full Configuration Interaction Quantum Monte Carlo
James J. Shepherd, Lauretta R. Schwarz, Robert E. Thomas +3
There has been recent literature discussion on the origin and severity of the `sign problem' in full configuration interaction quantum Monte Carlo (FCIQMC) and its `initiator' adap…