A generalization of the Wilson charging process to molecular systems in which the motion of both the electrons and nuclei are described quantum mechanically
- 1 July 1976
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 65 (1) , 280-283
- https://doi.org/10.1063/1.432765
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.Keywords
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