Analytically continued fock space multi-reference coupled-cluster theory: application to the shape resonance
| Title | Analytically continued fock space multi-reference coupled-cluster theory: application to the shape resonance |
| Publication Type | Journal Article |
| Year of Publication | 2006 |
| Authors | Pal, S, Sajeev, Y, Vaval, N |
| Journal | Chemical Physics |
| Volume | 329 |
| Issue | 1-3 |
| Pagination | 283-289 |
| Date Published | OCT |
| Type of Article | Article |
| ISSN | 0301-0104 |
| Keywords | complex absorbing potential, correlated independent particle potential, Fock space multi-reference coupled-cluster theory, shape resonance |
| Abstract | The Fock space multi-reference coupled-cluster (FSMRCC) method is used for the study of the shape resonance energy and width in an electron-atom/molecule collision. The procedure is based upon combining a complex absorbing potential (CAP) with FSMRCC theory. Accurate resonance parameters are obtained by solving a small non-Hermitian eigen-value problem. We study the shape resonances in e(-)-C2H4 and e(-)-Mg. (c) 2006 Elsevier B.V. All rights reserved. |
| DOI | 10.1016/j.chemphys.2006.07.002 |
| Type of Journal (Indian or Foreign) | Foreign |
| Impact Factor (IF) | 1.758 |
Divison category:
Physical and Materials Chemistry