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Title: An atomic orbital-based formulation of analytical gradients and nonadiabatic coupling vector elements for the state-averaged complete active space self-consistent field method on graphical processing units

 [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
Publication Date:
OSTI Identifier:
DOE Contract Number:
ACI-1450179; Graduate Fellowship; NSSEFF; AC02-76SF00515
Resource Type:
Journal Article
Resource Relation:
Journal Name: The Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 15
Research Org:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Sponsoring Org:
Country of Publication:
United States