A Novel Iterative Transfer Perturbation Method and Its Application to the Extended Hückel Method

Publisher Website
Google Scholar
Abstract
An efficient iterative transfer perturbation method, which enabled us to take into account the contribution of the high order terms in the perturbation series without directly deriving the formulas for terms above third order, is proposed. Consequently we can calculate an infinite series of higher order terms in the perturbation expansion by applying this method iteratively until convergence in the expansion is obtained. By applying this method to methanol, the validity and applicability of our theory are shown at the level of the extended Hückel method.

This publication has 4 references indexed in Scilit: