General formalism of the Fock space multireference coupled cluster method for investigating molecular electronic resonances
| Title | General formalism of the Fock space multireference coupled cluster method for investigating molecular electronic resonances |
| Publication Type | Journal Article |
| Year of Publication | 2005 |
| Authors | Sajeev, Y, Pal, S |
| Journal | Molecular Physics |
| Volume | 103 |
| Issue | 15-16 |
| Pagination | 2267-2275 |
| Date Published | AUG |
| Type of Article | Article |
| ISSN | 0026-8976 |
| Keywords | electronic resonances, Fock space multireference coupled cluster method |
| Abstract | Electron correlation and relaxation effects play a substantial role in the formation and decay of resonance states. In this paper we formulate a complex absorbing potential combined with the Fock space multireference coupled cluster method for the correlated calculations of resonance energy and width. This can describe the dynamic and non-dynamic electron correlation efficiently in the ionized or electron attached states. |
| DOI | 10.1080/00268970500084158 |
| Type of Journal (Indian or Foreign) | Foreign |
| Impact Factor (IF) | 1.837 |
Divison category:
Physical and Materials Chemistry