Potential model for the interaction of two like S state atoms involving spin symmetry

摘要: One of the problematic parts interaction two atoms is dispersion resulting from interatomic electron correlation. Based on available variational and perturbational ab initio results for like S state with only s valence electrons, a model formula constructed in way that different spin states system are considered. If exchange component can be treated as correction, then contains free parameters, one characterizing orbital contraction other contribution. To this Hartree–Fock energy an intra‐atomic correlation correction added, thus giving reliable two‐parameter full interaction. The parameters fitted to experimental data under consideration get potential.