Title of article :
A size-extensive state-specific multi-reference many-body approach using incomplete model spaces
Author/Authors :
Pahari، نويسنده , , Dola and Chattopadhyay، نويسنده , , Sudip Kumar Das، نويسنده , , Sanghamitra and Mukherjee، نويسنده , , Debashis، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2003
Pages :
7
From page :
223
To page :
229
Abstract :
We present a size-extensive and size-consistent state-specific multi-reference coupled-cluster approach based on an incomplete model space (IMS) and also discuss simplifications if the IMS is quasi-complete. Methods such as perturbation theory or CEPA-like schemes follow naturally as suitable approximants. Intermediate normalization for the wave-operator, Ω is abandoned in the formalism and suitable excitations, defined as open and quasi-open – which excite out of the IMS by their action on at least one of the model functions – are incorporated in Ω. The effective operator W, leading to the energy on diagonalization, is a closed connected operator.
Journal title :
Chemical Physics Letters
Serial Year :
2003
Journal title :
Chemical Physics Letters
Record number :
1784128
Link To Document :
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