期刊
CHEMICAL PHYSICS LETTERS
卷 565, 期 -, 页码 5-11出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2013.02.022
关键词
-
资金
- ANR (France) [BLAN08-2_321467]
- LEFE-CHAT CNRS
- CNRS (France)
- RFBR (Russia)
- CAS (China)
- IDRIS computer centre of CNRS
- CINES computer centre of France
- Clovis computer centre Reims-Champagne-Ardenne
New dipole moment surfaces (DMS) of methane are constructed using extended ab initio CCSD(T) calculations at 19882 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 (CH4)-C-12 and (CH4)-C-13 are in a good agreement with the HITRAN 2008 database, and with other available experimental data. (C) 2013 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据