title: Structure and spectroscopy of ground and excited states of LiYb.
abstract: Multireference configuration interaction and coupled cluster calculations have been carried out to determine the potential energy curves for the ground and low-lying excited states of the LiYb molecule. The scalar relativistic effects have been included by means of the Douglas-Kroll Hamiltonian and effective core potential and the spin-orbit couplings have been evaluated by the full microscopic Breit-Pauli operator. The LiYb permanent dipole moment, static dipole polarizability, and Franck-Condon factors have been determined. Perturbations of the vibrational spectrum due to nonadiabatic interactions are discussed.
authors.affiliation: ITAMP, Harvard-Smithsonian Center for Astrophysics, 60 Garden St., Cambridge, Massachusetts 02138, USA.
authors.forename: P
authors.initials: P
authors.lastname: Zhang
authors.forename: H R
authors.initials: HR
authors.lastname: Sadeghpour
authors.forename: A
authors.initials: A
authors.lastname: Dalgarno