Intermediate hamiltonian hilbert space coupled cluster method: theory and pilot application
| Title | Intermediate hamiltonian hilbert space coupled cluster method: theory and pilot application |
| Publication Type | Journal Article |
| Year of Publication | 2009 |
| Authors | Eliav, E, Borschevsky, A, Shamasundar, KR, Pal, S, Kaldor, U |
| Journal | International Journal of Quantum Chemistry |
| Volume | 109 |
| Issue | 13 |
| Pagination | 2909-2915 |
| Date Published | NOV |
| ISSN | 0020-7608 |
| Keywords | coupled cluster, Hilbert space, intermediate Hamiltonian |
| Abstract | The intermediate Hamiltonian state universal (Hilbert-space) coupled-cluster method is presented, using a formalism similar to that developed for the valence universal (Fock-space) approach. The method is expected to be applicable to many states not accessible by traditional multiroot multireference all-order size-extensive approaches. A pilot application to excited states of atomic beryllium shows good convergence and agreement with experiment and full CI values. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 109: 2909-2915, 2009 |
| DOI | 10.1002/qua.22155 |
| Type of Journal (Indian or Foreign) | Foreign |
| Impact Factor (IF) | 1.302 |
Divison category:
Physical and Materials Chemistry