Intermediate Hamiltonian Hilbert space coupled cluster method: theory and pilot application

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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