Vaval, Nayana ; Pal, Sourav (2004) A fully relaxed extended coupled-cluster approach for molecular properties Chemical Physics Letters, 398 (1-3). pp. 194-200. ISSN 0009-2614
Full text not available from this repository.
Official URL: http://linkinghub.elsevier.com/retrieve/pii/S00092...
Related URL: http://dx.doi.org/10.1016/j.cplett.2004.09.054
Abstract
A fully relaxed analytic extended coupled cluster response method is presented for molecular properties. The inclusion of orbital relaxation in extended coupled cluster method is expected to improve molecular properties away from equilibrium. A fully relaxed model of extended coupled cluster method is tested using hydrogen fluoride and boron hydride at various geometries.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 25863 |
| Deposited On: | 04 Dec 2010 11:27 |
| Last Modified: | 05 Mar 2011 05:18 |
Repository Staff Only: item control page
