Finite-Size Error Cancellation in Diffusion Monte Carlo Calculations of Surface Chemistry

Iyer, Gopal R.; Rubenstein, Brenda M.

doi:10.1021/acs.jpca.2c01957

Finite-Size Error Cancellation in Diffusion Monte Carlo Calculations of Surface Chemistry

Journal Article · 12 July 2022 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI:https://doi.org/10.1021/acs.jpca.2c01957· OSTI ID:1981894

Iyer, Gopal R. ^[1]; ^[1]

Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States

Not provided.

Research Organization:: US Department of Energy (USDOE), Washington, DC (United States). Office of Energy Efficiency and Renewable Energy (EERE)

Sponsoring Organization:: USDOE

OSTI ID:: 1981894

Journal Information:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Vol. 126, Issue 28; ISSN 1089-5639

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

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