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Updated: Mar 26, 2026

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Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation

Chad E Hoyer1, Soumen Ghosh1, Donald G Truhlar1

  • 1Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota , 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, United States.

The Journal of Physical Chemistry Letters
|January 23, 2016
PubMed

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