Title of article
Calculation of the vibrational spectral density of NO2 via density correlation functions
Author/Authors
Jeffrey ، نويسنده , , Stephen J. and Smith، نويسنده , , Sean C. and Clary، نويسنده , , David C.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1997
Pages
7
From page
55
To page
61
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 Hirsh et al. was employed with a 3-dimensional discrete variable representation. Promising comparison with experimental results is obtained.
Journal title
Chemical Physics Letters
Serial Year
1997
Journal title
Chemical Physics Letters
Record number
1781367
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