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Machine-Learned Energy Functionals for Multiconfigurational Wave Functions

Electronic Structure - Modeling Properties Machine Learning

Publication Details

  • Authors: D. S. King, D. G. Truhlar, and L. Gagliardi
  • Publication Number: 398
  • Year: 2021
  • Journal: J. Phys. Chem. Lett.
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Full Citation

D. S. King, D. G. Truhlar, and L. Gagliardi, Machine-Learned Energy Functionals for Multiconfigurational Wave Functions, J. Phys. Chem. Lett., 2021, 12, 7761–7767. DOI: 10.1021/acs.jpclett.1c02042