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Calculation of electric polarizabilities within the CNDO framework including polarization functions in the basis set

✍ Scribed by Teixeira-Dias, J. J. C.; Sarre, P. J.

Book ID: 111678547
Publisher: The Royal Society of Chemistry
Year: 1975
Weight: 595 KB
Volume: 71
Category: Article
ISSN: 0300-9238
DOI: 10.1039/f29757100906

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## Abstract Electric polarizabilities are calculated by solving the first‐ and second‐order perturbation equations through a variational procedure. Satisfactory numerical results are obtained for a number of molecules using the CNDO approximation with an extended basis set.

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