Abstract

Close consideration of the influence of non-orthogonality of the electronic wave functions in a crystal shows that because of the large number of terms arising from the possible permutations of electrons, the usual procedure involving the neglect of most of the terms arising from this lack of orthogonality may be seriously in error. The dependence of the relative energies of the states of low and high multiplicity on this factor is discussed and exemplified in the cases of some simple molecular models.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.