Title of article
New dipole moment surfaces of methane
Author/Authors
Nikitin ، نويسنده , , Andrei V. and Rey، نويسنده , , Michael and Tyuterev، نويسنده , , Vladimir G.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2013
Pages
7
From page
5
To page
11
Abstract
New dipole moment surfaces (DMS) of methane are constructed using extended ab initio CCSD(T) calculations at 19 882 nuclear configurations. The DMS analytical representation is determined through an expansion in symmetry adapted products of internal nonlinear coordinates involving 967 parameters up to the 6th order. Integrated intensities of seven lower polyads up to J = 30 for 12CH4 and 13CH4 are in a good agreement with the HITRAN 2008 database, and with other available experimental data.
Journal title
Chemical Physics Letters
Serial Year
2013
Journal title
Chemical Physics Letters
Record number
1934605
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