Communication: Automatic code generation enables nuclear gradient computations for fully internally contracted multireference theory

MacLeod, Matthew K.; Shiozaki, Toru

doi:10.1063/1.4907717

Title: Communication: Automatic code generation enables nuclear gradient computations for fully internally contracted multireference theory

Journal Article · Sat Feb 07 00:00:00 EST 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4907717· OSTI ID:1228521

MacLeod, Matthew K. ^[1];

^[1]

Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, Illinois 60208, USA

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Sponsoring Organization:: USDOE

Grant/Contract Number:: FG02-13ER16398; SC0010265

OSTI ID:: 1228521

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Vol. 142 Journal Issue: 5; ISSN 0021-9606

Publisher:: American Institute of PhysicsCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 77 works

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References (54)

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