Dispersion coefficients for Li+ -H and Li+ -He systems with coulomb and screened coulomb potentials

Abstract

Exploiting powerful computational aspects and highly correlated exponential wave functions for two-electron atoms, we have investigated the effects of screened Coulomb interaction on the hexadecapole polarizability of Li+(11S), and the dispersion coefficients C6, C8, C10, and C12 for interaction of Li+ with H and He atoms in their ground states. The dispersion coefficients and hexadecapole polarizability for different screening parameters ranging from 0 to 1.0 a are reported. In the unscreened case, the hexadecapole polarizability of Li+, and the dispersion C12 coefficients for Li+–H and Li+–He system are reported for the first time in the literature. The C6, C8, and C10 coefficients for the unscreened cases are comparable with the reported results. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011