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Title: A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units

Authors:
 [1];  [2];  [3]; ORCiD logo [2]; ORCiD logo [1]
  1. Department of Chemistry and the PULSE Institute, Stanford University, Stanford, California 94305, USA; SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA
  2. Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA
  3. Department of Chemistry and Biochemistry, The City College of New York, New York, New York 10031, USA
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1368756
DOE Contract Number:  
AC02-76SF00515; ACI-1429830; ACI-1450179; GRFP
Resource Type:
Journal Article
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 146; Journal Issue: 17; Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English

Citation Formats

Snyder, James W., Fales, B. Scott, Hohenstein, Edward G., Levine, Benjamin G., and Martínez, Todd J. A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units. United States: N. p., 2017. Web. doi:10.1063/1.4979844.
Snyder, James W., Fales, B. Scott, Hohenstein, Edward G., Levine, Benjamin G., & Martínez, Todd J. A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units. United States. doi:10.1063/1.4979844.
Snyder, James W., Fales, B. Scott, Hohenstein, Edward G., Levine, Benjamin G., and Martínez, Todd J. Thu . "A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units". United States. doi:10.1063/1.4979844.
@article{osti_1368756,
title = {A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units},
author = {Snyder, James W. and Fales, B. Scott and Hohenstein, Edward G. and Levine, Benjamin G. and Martínez, Todd J.},
abstractNote = {},
doi = {10.1063/1.4979844},
journal = {The Journal of Chemical Physics},
issn = {0021-9606},
number = 17,
volume = 146,
place = {United States},
year = {2017},
month = {5}
}

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