A derivation of the linear response function for the Brueckner coupled cluster method is presented that enables the calculation of second‐order molecular properties such as frequency‐dependent polarizabilities. By using the Brueckner orbital variant of coupled cluster theory, the spurious pole structure inherent in the standard coupled cluster approach with orbital relaxation is avoided. © 1994 John Wiley & Sons, Inc. Copyright © 1994 John Wiley & Sons, Inc.

Brueckner coupled cluster response functions

Koch, Henrik
;
1994

Abstract

A derivation of the linear response function for the Brueckner coupled cluster method is presented that enables the calculation of second‐order molecular properties such as frequency‐dependent polarizabilities. By using the Brueckner orbital variant of coupled cluster theory, the spurious pole structure inherent in the standard coupled cluster approach with orbital relaxation is avoided. © 1994 John Wiley & Sons, Inc. Copyright © 1994 John Wiley & Sons, Inc.
Atomic and Molecular Physics, and Optics; Condensed Matter Physics; Physical and Theoretical Chemistry
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11384/69961
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