A multireference coupled-cluster approach to quantum dynamics

Guha, Sruti ; Mukherjee, Debashis (1991) A multireference coupled-cluster approach to quantum dynamics Chemical Physics Letters, 186 (1). pp. 84-90. ISSN 0009-2614

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Official URL: http://linkinghub.elsevier.com/retrieve/pii/000926...

Related URL: http://dx.doi.org/10.1016/0009-2614(91)80196-5


A time-dependent coupled-cluster (TDCC) formalism with a multireference model space for studying quantum dynamics is presented. The evolution operator U acting on the model space is factorized as UexUM where UM evolves in the model space and Uex brings in virtual functions. Both Uex and UM are written as normal ordered exponentials involving cluster operators. The evolution of UM is governed by an effective Hamiltonian that is size-extensive. An illustrative application on a nontrivial problem indicates the potentiality of the formalism.

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Deposited On:23 Nov 2010 13:03
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