Exact Solutions to the Coupled Hartreehyphen;Fock Perturbation Equations

摘要

A new method is presented for obtaining exact solutions to the timehyphen;dependent coupled Hartreehyphen;Fock perturbation equations. We choose an iterative approach, relying on the Aitken dgr;2transformation to insure and accelerate convergence. At each iteration the resulting uncoupled inhomogeneous differential equations are solved using the technique previously presented by Alexander and Gordon, based on piecewise polynomial approximation of both the potential and the inhomogeneity. As a numerical application we calculate the frequencyhyphen;dependent dipole polarizability of the helium atom within the coupled Hartreehyphen;Fock approximation. Comparison is made with the results of previous variational and numerical calculations. The method can be extended to the solution of integrohyphen;differential equations arising in other areas of chemical physics.