Publications [#315716] of Peng Zhang

Journal Articles

1. Zhang, P; Sadeghpour, HR; Dalgarno, A, Structure and spectroscopy of ground and excited states of LiYb, Journal of Chemical Physics, vol. 133 no. 4 (July, 2010), pp. 044306-044306, AIP Publishing, ISSN 0021-9606 [doi]
   (last updated on 2026/01/18)

   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. © 2010 American Institute of Physics.