An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units

Journal Article · Sun Jun 14 00:00:00 EDT 2015 · The Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4921956· OSTI ID:1261202

Hohenstein, Edward G. ^[1]; Luehr, Nathan  ^[1]; Ufimtsev, Ivan S. ^[1]; Martínez, Todd J. ^[1]

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1. Department of Chemistry and the PULSE Institute, Stanford University, Stanford, California 94305, USA; SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA

• Research Organization: SLAC National Accelerator Lab., Menlo Park, CA (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: OCI-1047577; AC02-76SF0051
• OSTI ID: 1261202
• Journal Information: The Journal of Chemical Physics, Vol. 142, Issue 22; ISSN 0021-9606
• Country of Publication: United States
• Language: English