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Cost-Effective Treatment of Scalar Relativistic Effects for Multireference Systems: A CASSCF Implementation Based on

Filippo Lipparini1, Jürgen Gauss1

  • 1Institut für Physikalische Chemie, Universität Mainz , Duesbergweg 10-14, D-55128 Mainz, Germany.

Journal of Chemical Theory and Computation
|July 28, 2016
PubMed

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