P,T-Odd Spin-Rotational Hamiltonian for YbF Molecule.

Abstract

An {ital ab} {ital initio} relativistic effective core potential calculation of electronic wave function for the ground state ({sup 2}{Sigma}) 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 {ital P}- and {ital P},{ital T}-odd terms of the molecule. {copyright} {ital 1996 The American Physical Society.}