Approximate Exponential Integrators for Time-Dependent Equation-of-Motion Coupled Cluster Theory

Williams-Young, David B.; Yuwono, Stephen H.; DePrince III, A. Eugene; Yang, Chao

doi:10.1021/acs.jctc.3c00911

Title: Approximate Exponential Integrators for Time-Dependent Equation-of-Motion Coupled Cluster Theory

Journal Article · 11 December 2023 · Journal of Chemical Theory and Computation

DOI: https://doi.org/10.1021/acs.jctc.3c00911 · OSTI ID:2229774

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Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306, United States

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

Grant/Contract Number:: SC0022263

OSTI ID:: 2229774

Alternate ID(s):: OSTI ID: 2263344

Journal Information:: Journal of Chemical Theory and Computation, Journal Name: Journal of Chemical Theory and Computation Journal Issue: 24 Vol. 19; ISSN 1549-9618

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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