Degenerate symmetry-adapted perturbation theory. Convergence properties of perturbation expansions for excited states of H2+ ion

Symmetry forcing and convergence propert

Symmetry forcing and convergence properties of perturbation expansions for molecular interaction energies

✍ Bogumił Jeziorski; Krzysztof Szalewicz; Grzegorz Chałasiński 📂 Article 📅 1978 🏛 John Wiley and Sons 🌐 English ⚖ 907 KB

## Abstract The convergence properties of perturbation theories for molecular interaction energies are tested by performing high‐accuracy high‐order numerical calculations for a ground‐state hydrogen atom interacting with a proton. It is shown that a strong symmetry forcing used in the Eisenschitz‐