An SCF treatment of the azines
- 1 January 1968
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 15 (2) , 121-128
- https://doi.org/10.1080/00268976800100891
Abstract
A modified Mataga SCF method is applied to the azines. Parameters obtained from single ring molecules are used to generate spectra and physical properties for acridine and phenazine. Symmetry considerations point out that only a minimum of configuration interaction (CI) is necessary.Keywords
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