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Calculation of the vibrational spectral density of NO2 via density correlation functions

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Date

1997-07-11

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Abstract

The spectral density has been calculated for nitrogen dioxide in the energy range 0-12000 cm -1 using the density correlation method of Smith and Jeffrey. The V11 diabatic surface of Hirsch et al. was employed with a 3-dimensional discrete variable representation. Promising comparison with experimental results is obtained.

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https://dspace-test.anu.edu.au/handle/1885/733744734

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DevOps Pure Testing

Source

Chemical Physics Letters

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Article

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DOI

10.1016/S0009-2614(97)00582-4

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