A general bridge between configuration interaction and coupled-cluster methods: A multistate solution

L. Adamowicz; R. Caballol; J. P. Malrieu; J. Meller

doi:10.1016/0009-2614(96)00746-4

A general bridge between configuration interaction and coupled-cluster methods: A multistate solution

L. Adamowicz, R. Caballol, J. P. Malrieu, J. Meller

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

Using the concept of intermediate Hamiltonians, a state-specific dressing of an arbitrary configuration interaction matrix is presented in its full generality, proceeding through a coupled-cluster development of the desired eigenvector from its dominant single determinantal components. The method is then generalized to simultaneously search for M eigenstates through a Jeziorski-Monkhorst-type expansion from the M dominant determinants.

Original language	English (US)
Pages (from-to)	619-626
Number of pages	8
Journal	Chemical Physics Letters
Volume	259
Issue number	5-6
DOIs	https://doi.org/10.1016/0009-2614(96)00746-4
State	Published - Sep 13 1996

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(96)00746-4

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title = "A general bridge between configuration interaction and coupled-cluster methods: A multistate solution",

abstract = "Using the concept of intermediate Hamiltonians, a state-specific dressing of an arbitrary configuration interaction matrix is presented in its full generality, proceeding through a coupled-cluster development of the desired eigenvector from its dominant single determinantal components. The method is then generalized to simultaneously search for M eigenstates through a Jeziorski-Monkhorst-type expansion from the M dominant determinants.",

author = "L. Adamowicz and R. Caballol and Malrieu, {J. P.} and J. Meller",

note = "Funding Information: The Laboratoire de Physique Quantique is Unit~ Associ~e 505 du CNRS. R. Caballol is indebted to DGICYT of the Ministerio de Educaci6n y Ciencia of Spain (project no. PB92-0766-CO2-02) and to CIRIT of the Generalitat de Catalunya (grant GRQ93-7.003) for their financial support. The authors thank the French-Spanish Cooperation (Acci6n Integrada 94-321) as well as the French-Polish Scientific Cooperation support.",

year = "1996",

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doi = "10.1016/0009-2614(96)00746-4",

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AU - Adamowicz, L.

AU - Caballol, R.

AU - Malrieu, J. P.

AU - Meller, J.

N1 - Funding Information: The Laboratoire de Physique Quantique is Unit~ Associ~e 505 du CNRS. R. Caballol is indebted to DGICYT of the Ministerio de Educaci6n y Ciencia of Spain (project no. PB92-0766-CO2-02) and to CIRIT of the Generalitat de Catalunya (grant GRQ93-7.003) for their financial support. The authors thank the French-Spanish Cooperation (Acci6n Integrada 94-321) as well as the French-Polish Scientific Cooperation support.

PY - 1996/9/13

Y1 - 1996/9/13

N2 - Using the concept of intermediate Hamiltonians, a state-specific dressing of an arbitrary configuration interaction matrix is presented in its full generality, proceeding through a coupled-cluster development of the desired eigenvector from its dominant single determinantal components. The method is then generalized to simultaneously search for M eigenstates through a Jeziorski-Monkhorst-type expansion from the M dominant determinants.

AB - Using the concept of intermediate Hamiltonians, a state-specific dressing of an arbitrary configuration interaction matrix is presented in its full generality, proceeding through a coupled-cluster development of the desired eigenvector from its dominant single determinantal components. The method is then generalized to simultaneously search for M eigenstates through a Jeziorski-Monkhorst-type expansion from the M dominant determinants.

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A general bridge between configuration interaction and coupled-cluster methods: A multistate solution

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