On the solution of coupled‐cluster equations in the fully correlated limit of cyclic polyene model | Zendy

Piecuch Piotr | Zendy; Paldus Josef | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Premium

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.

This content is not available in your region!

Continue researching here.

Having issues? You can contact us here

Accelerating Research