Theoretical study of the effects of vibrational-rotational interactions on the Raman spectrum of N2
- 1 May 1983
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 78 (9) , 5287-5292
- https://doi.org/10.1063/1.445482
Abstract
A systematic study of the polarizability and polarizability derivatives of N2 is undertaken as a function of basis set and level of correlation treatment. The value obtained for the ratio of derivatives (re β′e/βe) of the polarizability anisotropy β=α∥−α⊥ is 3.15±0.2, which is larger than the two experimental estimates of 2.63±0.29 and 2.22±0.44.Keywords
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