Restricted Hartree Fock using complex-valued orbitals: A long-known but neglected tool in electronic structure theory

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

doi:10.1063/1.4905120

Title: Restricted Hartree Fock using complex-valued orbitals: A long-known but neglected tool in electronic structure theory

Journal Article · Fri Jan 09 00:00:00 EST 2015 · The Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4905120· OSTI ID:1228481

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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Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1228481

Journal Information:: The Journal of Chemical Physics, Journal Name: The Journal of Chemical Physics Vol. 142 Journal Issue: 2; ISSN 0021-9606

Publisher:: American Institute of PhysicsCopyright Statement

Country of Publication:: United States

Language:: English

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