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Title: Analytic first derivatives of floating occupation molecular orbital-complete active space configuration interaction on graphical processing units

Authors:
 [1] ;  [2] ;  [1] ;  [1] ;  [1] ;  [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 and the PULSE Institute, Stanford University, Stanford, California 94305, USA; SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA; Group for Photochemical Dynamics, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland
Publication Date:
OSTI Identifier:
1261120
DOE Contract Number:
AC02-76SF00515; Fellowship; Graduate Fellowship
Resource Type:
Journal Article
Resource Relation:
Journal Name: The Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 1
Research Org:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English