A simple way to test for collinearity in spin symmetry broken wave functions: General theory and application to generalized Hartree Fock

Small, David W.; Sundstrom, Eric J.; Head-Gordon, Martin

doi:10.1063/1.4913740

A simple way to test for collinearity in spin symmetry broken wave functions: General theory and application to generalized Hartree Fock

Journal Article · Fri Mar 06 23:00:00 EST 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4913740· OSTI ID:1228121

Small, David W. ^[1]; Sundstrom, Eric J. ^[1]; Head-Gordon, Martin ^[1]

Department of Chemistry, University of California, Berkeley, California 94720, USA and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA

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View Accepted Manuscript (Publisher)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1228121

Alternate ID(s):: OSTI ID: 22416208

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 9 Vol. 142; ISSN 0021-9606

Publisher:: American Institute of PhysicsCopyright Statement

Country of Publication:: United States

Language:: English

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