Scalar Breit interaction for molecular calculations

Sun, SC; Ehrman, J; Zhang, TY; Sun, QM; Dyall, KG; Li, XS

Li, XS (通讯作者),Univ Washington, Dept Chem, Seattle, WA 98195 USA.

JOURNAL OF CHEMICAL PHYSICS, 2023; 158 (17):

Abstract

Variational treatment of the Dirac-Coulomb-Gaunt or Dirac-Coulomb-Breit two-electron interaction at the Dirac-Hartree-Fock level is the starting point......

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