Automatic Differentiation for Explicitly Correlated MP2

Mitchell, Erica C.; Turney, Justin M.; Schaefer, III, Henry F.

doi:10.1021/acs.jctc.4c00818

Title: Automatic Differentiation for Explicitly Correlated MP2

Journal Article · 22 September 2024 · Journal of Chemical Theory and Computation

DOI: https://doi.org/10.1021/acs.jctc.4c00818 · OSTI ID:2447504

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Department of Chemistry, University of Georgia, 302 East Campus Road, Athens, Georgia 30602, United States, Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, United States
Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, United States

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Research Organization:: University of Georgia, Athens, GA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0018412

OSTI ID:: 2447504

Journal Information:: Journal of Chemical Theory and Computation, Journal Name: Journal of Chemical Theory and Computation Journal Issue: 19 Vol. 20; ISSN 1549-9618

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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