Exact Solution of the One-Band π-Electron Theory of Benzene
- 15 April 1970
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 52 (8) , 4217-4223
- https://doi.org/10.1063/1.1673632
Abstract
The Pariser–Parr Hamiltonian for benzene is set up and solved exactly (complete configuration interaction). The Hamiltonia parameters are determined so as to fit the experimental values of the observed excited states. The exact solutions of the model Hamiltonian are used to determine correlation functions, oscillator strengths, and two‐photon transition probabilities.Keywords
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