Equation-of-motion coupled-cluster method for the study of shape resonance
| Title | Equation-of-motion coupled-cluster method for the study of shape resonance |
| Publication Type | Journal Article |
| Year of Publication | 2012 |
| Authors | Ghosh, A, Vaval, N, Pal, S |
| Journal | Journal of Chemical Physics |
| Volume | 136 |
| Issue | 23 |
| Pagination | 234110 |
| Date Published | JUN |
| ISSN | 0021-9606 |
| Abstract | The equation-of-motion coupled-cluster method (EOM-CC) is applied for the first time to calculate the energy and width of a shape resonance in an electron-molecule scattering. The procedure is based on inclusion of complex absorbing potential with EOM-CC theory. We have applied this method to investigate the shape resonance in e(-)N(2), e(-)CO, and e(-)C(2)H(2). (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4729464] |
| DOI | 10.1063/1.4729464 |
| Type of Journal (Indian or Foreign) | Foreign |
| Impact Factor (IF) | 3.164 |
Divison category:
Physical and Materials Chemistry