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Efficient implementation of effective core potential integrals and gradients on graphical processing units

Journal Article · · The Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4922844· OSTI ID:1261121
 [1];  [1];  [2];  [2];  [2];  [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. Institute for Physical Chemistry, Friedrich Schiller University Jena, Helmholtzweg 4, 07743 Jena, Germany
+ Show Author Affiliations
Research Organization:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Sponsoring Organization:
USDOE
OSTI ID:
1261121
Journal Information:
The Journal of Chemical Physics, Journal Name: The Journal of Chemical Physics Journal Issue: 1 Vol. 143; ISSN JCPSA6; ISSN 0021-9606
Country of Publication:
United States
Language:
English

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