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Analytic First-Order Derivatives of (X)MS, XDW, and RMS Variants of the CASPT2 and RASPT2 Methods

Yoshio Nishimoto1, Stefano Battaglia2, Roland Lindh2

  • 1Graduate School of Science, Kyoto University, Kyoto 606-8502, Japan.

Journal of Chemical Theory and Computation
|June 14, 2022
PubMed

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