Ajitha, D. ; Pal, Sourav (1999) Z-vector formalism for the Fock space multireference coupled cluster method: elimination of the response of the highest valence sector amplitudes Journal of Chemical Physics, 111 (9). pp. 3832-3836. ISSN 0021-9606
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Official URL: http://link.aip.org/link/JCPSA6/v111/i9/p3832/s1
Related URL: http://dx.doi.org/10.1063/1.479686
Abstract
In this paper we present Z-vector formalism for the Fock space multireference coupled cluster framework. We present detailed equations describing the derivative effective Hamiltonian, where the response amplitudes of the highest Fock sector are eliminated. We discuss the conditions and approximations under which the formalism is possible. We also discuss the implications and comparison with the similar formalism in the single reference framework. The computational advantages and feasibility are also commented upon in this paper.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| ID Code: | 25897 |
| Deposited On: | 04 Dec 2010 11:04 |
| Last Modified: | 05 Mar 2011 05:48 |
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