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

Hohenstein, Edward G.; Luehr, Nathan; Ufimtsev, Ivan S.; Martínez, Todd J.

doi:10.1063/1.4921956

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

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Authors:

Hohenstein, Edward G. ^[1];

^[1]; Ufimtsev, Ivan S. ^[1]; Martínez, Todd J. ^[1]

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

Publication Date:: Sun Jun 14 00:00:00 EDT 2015

Research Org.:: SLAC National Accelerator Lab., Menlo Park, CA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1261202

DOE Contract Number:: OCI-1047577; AC02-76SF0051

Resource Type:: Journal Article

Journal Name:: The Journal of Chemical Physics

Additional Journal Information:: Journal Volume: 142; Journal Issue: 22; Journal ID: ISSN 0021-9606

Country of Publication:: United States

Language:: English

Citation Formats


                    Hohenstein, Edward G., Luehr, Nathan, Ufimtsev, Ivan S., and Martínez, Todd J. An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units.  United States: N. p., 2015. 
        Web.  doi:10.1063/1.4921956.

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                    Hohenstein, Edward G., Luehr, Nathan, Ufimtsev, Ivan S., & Martínez, Todd J. An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units.  United States.  https://doi.org/10.1063/1.4921956

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                    Hohenstein, Edward G., Luehr, Nathan, Ufimtsev, Ivan S., and Martínez, Todd J. 2015.  
        "An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units".  United States.  https://doi.org/10.1063/1.4921956.

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@article{osti_1261202,

  title        = {An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units},

  author       = {Hohenstein, Edward G. and Luehr, Nathan and Ufimtsev, Ivan S. and Martínez, Todd J.},

  abstractNote = {},

  doi          = {10.1063/1.4921956},

  url          = {https://www.osti.gov/biblio/1261202},
  journal      = {The Journal of Chemical Physics},

  issn         = {0021-9606},

  number       = 22,

  volume       = 142,

  place        = {United States},

  year         = {Sun Jun 14 00:00:00 EDT 2015},

  month        = {Sun Jun 14 00:00:00 EDT 2015}

}

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