A generalization of the Wilson charging process to molecular systems in which the motion of both the electrons and nuclei are described quantum mechanically

Abstract

A generalization of the Wilson charging process to systems is which both the motion of the electrons and the nuclei are described quantum mechanically is presented. For a molecular system of n electrons and N nuclei one shows that the problem of 3n+3N degrees of freedom reduces to one of seven variables plus the calculation of the energy levels of a much simpler system than the original one. Furthermore, if the wave functions involved are all real functions, the problem of 3n+3N degrees of freedom reduces simply to one of six variables for every state of the system.