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Advances in Physical Chemistry
Volume 2012 (2012), Article ID 236750, 12 pages
http://dx.doi.org/10.1155/2012/236750
Research Article

New ab Initio Potential Energy Surfaces for the Renner-Teller Coupled and States of CH2

1Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China
2Key Laboratory of Luminescence and Optical Information, Ministry of Education, Institute of Optoelectronic Technology, Beijing Jiaotong University, Beijing 100044, China

Received 31 August 2011; Revised 31 October 2011; Accepted 9 November 2011

Academic Editor: António Varandas

Copyright © 2012 Haitao Ma et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Supplementary Material

Table S1 in the Supplementary Materials shows the dependence of RMS errors in the fit on the degree of the polynomials (M). The numerical values of all parameters to generate the surfaces and coupling terms reported in the present study are provided in Table S2, S3 and S4 of the Supplementary Materials.

  1. Supplementary Tables