Fock space multireference coupled cluster theory: study of shape resonance
| Title | Fock space multireference coupled cluster theory: study of shape resonance |
| Publication Type | Journal Article |
| Year of Publication | 2013 |
| Authors | Bhattacharya, S, Vaval, N, Pal, S |
| Journal | International Journal of Quantum Chemistry |
| Volume | 113 |
| Issue | 12 |
| Pagination | 1690-1695 |
| Date Published | JUN |
| ISSN | 0020-7608 |
| Keywords | correlated independent particle potential, Fock-space multireference coupled cluster theory, shape resonance |
| Abstract | The complex absorbing potential along with correlated independent particle potential (CIP) Fock space multireference coupled cluster method is used for the study of resonances. We have studied shape resonance of e(-) - F-2, e(-) - N2O and e(-) -CO molecules. In particular, we have studied e(-) - F-2 scattering at different bond lengths to know whether F-2(-) is bound at the equilibrium bond length of F-2. (C) 2013 Wiley Periodicals, Inc. |
| DOI | 10.1002/qua.24387 |
| Type of Journal (Indian or Foreign) | Foreign |
| Impact Factor (IF) | 1.166 |
Divison category:
Physical and Materials Chemistry