J. Šmydke

Preparing Small Gaussian Basis for Highly Accurate Ab Initio Description of Lithium Rydberg States

A new small and highly accurate Gaussian basis set has been developed for the ab initio description of $^2$Li Rydberg excited states up to $n = 7$ and S, P, D, F, and G angular momentum symmetry, and the appropriate optimization protocol is presented. The obtained Rydberg excitation energies are compared with results f...