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On the solution of coupled‐cluster equations in the fully correlated limit of cyclic polyene model
Author(s) -
Piecuch Piotr,
Paldus Josef
Publication year - 1991
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560400807
Subject(s) - polyene , limit (mathematics) , cluster (spacecraft) , coupled cluster , chemistry , computational chemistry , statistical physics , physics , mathematics , mathematical analysis , quantum mechanics , computer science , molecule , organic chemistry , programming language
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.