Oscillator strengths for electronic spectra of conjugated molecules from transition gradients. I
- 1 January 1968
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 14 (3), 275-280
- https://doi.org/10.1080/00268976800100301
Abstract
Oscillator strengths for ethylene and benzene are calculated from transition gradients in the molecular orbital approximation with zero differential overlap. The results are much closer to the experimental values than the oscillator strengths calculated from transition moments. The effect of inclusion of overlap and other effects are also investigated.Keywords
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