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Application of the VESCF method to calculation of the electronic spectra of pyridine, pyrrole, and furan

โœ Scribed by J. C. Tai; N. L. Allinger

Publisher
Springer
Year
1969
Tongue
English
Weight
478 KB
Volume
15
Category
Article
ISSN
1432-2234

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A srmphtied method to calculate the excitation spectra of n-electron systems is proposed. The method is based on the assumptton that a "cluster" approxrmation can be apphed to exctted states. It is demonstrated that. for the low-lying triplet and opttcally allowed states of butadtene, hexatriene and