Eliav, Ephraim ; Borschevsky, Anastasia ; Shamasundar, K. R. ; Pal, Sourav ; Kaldor, Uzi (2009) Intermediate Hamiltonian Hilbert space coupled cluster method: theory and pilot application International Journal of Quantum Chemistry, 109 (13). pp. 2909-2915. ISSN 0020-7608
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Official URL: http://onlinelibrary.wiley.com/doi/10.1002/qua.221...
Related URL: http://dx.doi.org/10.1002/qua.22155
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.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to John Wiley and Sons, Inc. |
| Keywords: | Coupled Cluster; Intermediate Hamiltonian; Hilbert Space |
| ID Code: | 25984 |
| Deposited On: | 04 Dec 2010 10:44 |
| Last Modified: | 05 Mar 2011 04:31 |
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