Abstract
An ab initio relativistic effective core potential calculation of electronic wave function for the ground state ( ) of a YbF molecule is carried out followed by the restoration of molecular four-component spinor behavior in the core region of ytterbium in the framework of a nonvariational procedure. The constructed spinors are used to evaluate the spin-rotational Hamiltonian parameters including - and -odd terms of the molecule.
- Received 6 March 1996
DOI:https://doi.org/10.1103/PhysRevLett.77.5346
©1996 American Physical Society