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

An ab initio relativistic effective core potential calculation of electronic wave function for the ground state ( ${}_{}{}^2{}_{}{}^{}\Sigma$) 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 $P$- and $P,T$-odd terms of the molecule.