Hyperpolarizabilities for Hartree-Fock Atoms

Abstract

A fully coupled Hartree-Fock variational method is used to calculate the hyperpolarizability of the He, Be, Ne, and Ar atoms. In these calculations the hyperpolarizability is inferred from the electric moment induced in the atoms for various finite values of the external static electric field. A formulation of the problem and the justification for the methods used is given. The nonlinear parameters of all the wave functions used in these calculations are presented along with a convergence test for the wave function of the helium atom. The nuclear dipole shielding factor, polarizability, and hyperpolarizability are tabulated for these atoms and the results are discussed and compared with previous theoretical and experimental results.