ON THE RESONANCE THEORY

Authors
Citation
W. Wu et al., ON THE RESONANCE THEORY, Journal of molecular structure. Theochem, 102, 1993, pp. 227-236
Citations number
64
Categorie Soggetti
Chemistry Physical
ISSN journal
01661280
Volume
102
Year of publication
1993
Pages
227 - 236
Database
ISI
SICI code
0166-1280(1993)102:<227:OTRT>2.0.ZU;2-8
Abstract
In the present paper, the mathematical formulation of resonance theory is discussed. In fact, resonance theory is a representative form of t he unitary group approach. Using the standard projection operator of t he symmetric group, a new basis for an irreducible representation of t he unitary group, called bonded tableau, can be constructed to describ e a resonance structure correspondingly. The relationships between bon ded tableau and Weyl tableaux and between valence bond and molecular o rbital approaches are revealed. Finally, test calculations on ozone an d benzene are performed.