2 papers
physics.chem-ph2021
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…
physics.chem-ph2020
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…