Abstract
We report results of ab initio calculation of the spin-rotational Hamiltonian parameters including - and -odd terms for the BaF molecule. The ground-state wave function of BaF molecule is found with the help of the relativistic effective core potential method followed by the restoration of molecular four-component spinors in the core region of barium in the framework of a nonvariational procedure. Core polarization effects are included with the help of the atomic many-body perturbation theory for the Barium atom. For the hyperfine constants the accuracy of this method is about 5–10 %.
- Received 14 July 1997
DOI:https://doi.org/10.1103/PhysRevA.56.R3326
©1997 American Physical Society