✦ LIBER ✦

Molecular polarizability estimates for vibrational spectral interpretation

✍ Scribed by T.C. Jao; N.H.F. Beebe; W.B. Person; J.R. Sabin

Publisher: Elsevier Science
Year: 1974
Tongue: English
Weight: 496 KB
Volume: 26
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(74)80394-5

No coin nor oath required. For personal study only.

✦ Synopsis

A scheme is outlined for obtaining estimates of molecular polarizabilities, qundrupole moments. and their derivatives from restricted liartree-Fock calculations. Results are presented for the test cases Hz. F2 and Clz, and are compared with asperimcnt. The results are found to be kwer limits to these quantities, and they are expected to be of use in the interpretation of Raman and of collision-induced infrared absorption specfrz.

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