DIPOLE-POLARIZATION POTENTIAL IN H2-ELECTRON SYSTEM

The adiabatic polarization potential in the system of a hydrogen molecule and an electron is calculated by a variation perturbation method in two-center prolate spheroidal coordinates. In this calculation, a 16-term James-Coolidge type wave function is used for obtaining the dipole contribution to the potential. This is the first detailed calculation of the polarization potential of a diatomic molecule in two-center coordinates. The asymptotic forms of the dipole polarization potential in the direction parallel and perpendicular to the molecular axis are -5.975/5r4 and -4.359/2r4 in atomic units, respectively. The numerators of these asymptotic forms are to be compared with the exact values of the dipole polarizabilities 6.38049 and 4.55769 a. u. obtained by Kolos and Wolniewicz. © 1969, THE PHYSICAL SOCIETY OF JAPAN. All rights reserved.