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Free‐electron model for electronic spectra of benzene
P SEN, S BASU
Published in -
1969
Volume: 3
   
Issue: 5
Pages: 611 - 619
Abstract
Using a three dimensional free‐electron model for the π‐electron system the energies of the various singly and doubly excited configurations of benzene have been calculated. It has been found that the energies of the various singly excited configurations are in good agreement with the values obtained by Craig; whereas the energies of the doubly excited configurations are higher than those obtained by Craig. Therefore the configurational mixing for the doubly excited configurations is not necessary in this kind of model. Copyright © 1969 John Wiley & Sons, Inc.
About the journal
JournalInternational Journal of Quantum Chemistry
Publisher-
ISSN0020-7608