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.
Perturbative calculation of spin-orbit splittings using the equation- of-motion ionization-potential coupled-cluster ansatz.The Journal of chemical physics 2008,129
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.mtrl-sci 1years
2025 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
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.