Ghose, Keya Basu ; Pal, Sourav ; Meyer, H. -D. (1993) Correlated static-exchange interaction calculation for e-+N2 scattering using the coupled cluster techniquea) Journal of Chemical Physics, 99 (2). pp. 945-949. ISSN 0021-9606
Full text not available from this repository.
Official URL: http://link.aip.org/link/JCPSA6/v99/i2/p945/s1
Related URL: http://dx.doi.org/10.1063/1.465359
Abstract
The correlation contribution to the static-exchange interaction potential (ΔVSE) appears as an important quantity in the electron molecule scattering calculations. We have shown that the single and double excitation configuration interaction (CISD) method does not give reliable results for ΔVSE. Only properly chosen multireference CISD calculation or Green's function based calculations were found to be reliable. In this paper we carry out the coupled cluster (CC) calculations to test whether good results are obtained or not. The CC method will also help us to identify the important contributions to ΔVSE and to understand why a low order CI performs poorly.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| ID Code: | 25910 |
| Deposited On: | 04 Dec 2010 11:02 |
| Last Modified: | 05 Mar 2011 06:27 |
Repository Staff Only: item control page
