High-precision evaluation of the Vibrational spectra of long-range molecules

Abstract

Vibrational spectra of long-range molecules are determined accurately and to arbitrary accuracy with the Canonical Function Method. The energy levels of the $0^-_g$ and $1_u$ electronic states of the $^{23}{\rm Na}_2$ molecule are determined from the Ground state up to the continuum limit. The method is validated by comparison with previous results obtained by Stwalley et al. using the same potential and Trost et al. whose work is based on the Lennard-Jones potential adapted to long-range molecules.