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Fast methods for multisite charge transfer processes. I. Constrained, state averaged CASSCF(1,n) and CASSCF(2n - 1,n)

Tian Qiu1, Joseph E Subotnik1

  • 1Department of Chemistry, Princeton University, Princeton, New Jersey 08540, USA.

The Journal of Chemical Physics
|December 19, 2025
PubMed
Abstract

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