Molecular differential photoionization crosshyphen;section calculations withL2basis functions in the randomhyphen;phase approximation. Results for H2O

摘要

A computational procedure, based on theKhyphen;matrix technique, is presented to solve the randomhyphen;phasehyphen;approximation equations for the description of excitations in the molecular electronic continuum usingL2basis functions. The proposed method has been applied to the calculation of the photoionization cross sections and asymmetry parameters of the three main valence ionization processes in H2O including the effect of the channel interaction. The comparison of the calculated quantities with the available experimental data shows a remarkable improvement for the integral cross sections as well as an amelioration of the angular distribution parameters with respect to the statichyphen;exchange results previously obtained by a similar computational technique.