Extends X2C-mmf with full Coulomb-Gaunt-Breit two-electron contributions inside a Kramers-unrestricted CCSD framework and shows their increasing effect on mean-field and fine-structure energies for alkali atoms.
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Gaunt and Breit Two-electron contributions to Mean-field Transformations and Fine Structure Splitting
Extends X2C-mmf with full Coulomb-Gaunt-Breit two-electron contributions inside a Kramers-unrestricted CCSD framework and shows their increasing effect on mean-field and fine-structure energies for alkali atoms.