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Exact-Two-Component Multiconfiguration Pair-Density Functional Theory

Electronic Structure - Methods

Publication Details

  • Authors: P. Sharma, A. J. Jenkins, G. Scalmani, M. J. Frisch, D. G. Truhlar, L. Gagliardi, and X. Li
  • Publication Number: 417
  • Year: 2022
  • Journal: J. Chem. Theory Comput.
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Full Citation

P. Sharma, A. J. Jenkins, G. Scalmani, M. J. Frisch, D. G. Truhlar, L. Gagliardi, and X. Li, Exact-Two-Component Multiconfiguration Pair-Density Functional Theory, J. Chem. Theory Comput., 2022, 18, 2947–2954. DOI: 10.1021/acs.jctc.2c00062