ClF diatomic molecule: rovibrational spectra
Abstract
Following the first principles the analytic Born-Oppenheimer (BO) potential curve for the ground state of the molecule ClF is proposed for whole range of internuclear distances . It is based on matching the perturbation theory at small internuclear distances and multipole expansion at large distances , it has the form of two-point Pade approximant and provides 3-4 figures in rovibrational energies. It supports 5719 rovibrational states with maximal vibrational number and maximal angular momentum including 36 weakly-bound states close to threshold (to dissociation limit) with the energies Hartree. The van der Waals constant a.u. is predicted.
Keywords
Cite
@article{arxiv.2202.10666,
title = {ClF diatomic molecule: rovibrational spectra},
author = {Horacio Olivares Pilon and Alexander V Turbiner},
journal= {arXiv preprint arXiv:2202.10666},
year = {2023}
}
Comments
12 pages, 2 figures; post-publication version Chemical Physics Letters 799 (2022) 139642: a few important typos fixed, Appendix with Mathematica-12 code for solving the nuclear Schroedinger equation in Lagrange Mesh Method added