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A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. II. Strongly Correlated MCSCF Wave

Aaron C West1, Michael W Schmidt1, Mark S Gordon1

  • 1Department of Chemistry and Ames Laboratory USDOE, Iowa State University , Ames, Iowa 50011, United States.

The Journal of Physical Chemistry. A
|September 17, 2015
PubMed

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