The problem of determining SCF wave functions for excited electronic states is examined for singlet states of two-electron systems using a Lowdin natural orbital transformation of the full CI wave function. This analysis facilitates the comparison of various SCF methods with one another. The distrib
On the structural change of some TCNB complexes in the excited singlet state
โ Scribed by H. Masuhara; N. Mataga
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 339 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
The absorption spectra of the TCNB-toluene complex in the fluorescent state at 4.2"K were observed. On the basis of the results of excited singlet-singlet absorption spectra of some TCNB complexes at various temperatures, available fluorescence spectral data were re-interpreted. Instead of the model of so-called structural change, an alternative explanation in terms of: the triple complex (DlA-) in the excited state is proposed.
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