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ChemPotPy: A Python Library for Analytic Representations of Potential Energy Surfaces and Diabatic Potential Energy

Yinan Shu1, Zoltan Varga1, Dayou Zhang1

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

The Journal of Physical Chemistry. A
|November 2, 2023
PubMed

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