Photodissociation of triatomic molecules: Formulation of the threehyphen;dimensional problem

摘要

A variational approach for calculating the cross section of the photodissociation process of triatomic molecules is put forth as a generalization of a formulation used previously for fully threehyphen;dimensional calculations of transition probabilities for the reaction H2+Hrarr;H+H2and the rovibrational spectrum of H+3. It is based upon the generator coordinate method and the hyperspherical coordinates and the evaluation of the scattering wave function employs theRhyphen;matrix theory.