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Analytical GIAO and hybrid-basis integral derivatives: application to geometry optimization of molecules in strong

Erik I Tellgren1, Simen S Reine, Trygve Helgaker

  • 1Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, N-0315 Oslo, Norway. erik.tellgren@kjemi.uio.no

Physical Chemistry Chemical Physics : PCCP
|June 2, 2012
PubMed

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