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Linearized Pair-Density Functional Theory with Spin–Orbit Coupling

Actinides Electronic Structure - Methods

Publication Details

  • Authors: B. Jangid, M. R. Hennefarth, M. R. Hermes, D. G. Truhlar, and L. Gagliardi
  • Publication Number: 514
  • Year: 2025
  • Journal: J. Chem. Theory Comput.

Full Citation

B. Jangid, M. R. Hennefarth, M. R. Hermes, D. G. Truhlar, and L. Gagliardi, Linearized Pair-Density Functional Theory with Spin–Orbit Coupling, J. Chem. Theory Comput., 2025. DOI: 10.1021/acs.jctc.5c01633