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The calculation of ground and excited doublet state molecular polarizabilities by the CNDO/S-CI method

โœ Scribed by Francis T. Marchese; H.H. Jaffe'

Book ID
119115600
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
346 KB
Volume
86
Category
Article
ISSN
0166-1280

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A procedure is outlined for the calculation of molecular static electric polnrizabilities ir! excited singkt 2nd triplet states using the "finite perturbation theory" in conjunction with the CNDO/S CI method. Numerical results for the sound and the three lowest excited singlet and triplet states of