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Digitale Medien

On the solution of coupled-cluster equations in the fully correlated limit of cyclic polyene model (1991)

Piecuch, Piotr ; Paldus, Josef

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 40 (1991), S. 9-34

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Details

ISSN: 0020-7608

Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Quelle: Wiley InterScience Backfile Collection 1832-2000

Thema: Chemie und Pharmazie

Notizen: It is shown that the exact pair-cluster coefficients corresponding to the fully correlated limit of cyclic polyene model satisfy the equations of the approximate coupled-pair theory with quadruples (ACPQ) approach, but do not represent any solution of the standard coupled-cluster method with doubles (CCD) equations. Implications of this result for the performance of various coupled-cluster (CC) approaches, when applied to cyclic polyene model, are discussed.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1002/qua.560400807

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