156 citations · 194 across the 6 of their papers we have counts for
4 papers · 1 filter
Reducing the time-step errors in diffusion Monte Carlo
Tyler A. Anderson, Manolo C. Per, C. J. Umrigar
We modify the reweighting factor of the projector used in diffusion Monte Carlo to reduce the time-step error of the total energy. Further, we present a reweighting scheme that has…
Accurate energies of transition metal atoms, ions, and monoxides using selected configuration interaction and density-based basis-set corrections
Yuan Yao, Emmanuel Giner, Tyler A. Anderson +2
The semistochastic heat-bath configuration interaction (SHCI) method is a selected configuration interaction plus perturbation theory method that has provided near-full configurati…
Nonlocal pseudopotentials and time-step errors in diffusion Monte Carlo
Tyler A. Anderson, C. J. Umrigar
We present a version of the T-moves approach for treating nonlocal pseudopotentials in diffusion Monte Carlo which has much smaller time-step errors than the existing T-moves appro…
The Ground State Electronic Energy of Benzene
Janus J. Eriksen, Tyler A. Anderson, J. Emiliano Deustua +21
We report on the findings of a blind challenge devoted to determining the frozen-core, full configuration interaction (FCI) ground state energy of the benzene molecule in a standar…