A derivation of the linear response function for the Brueckner coupled cluster method is presented that enables the calculation of secondâorder molecular properties such as frequencyâdependent 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 secondâorder molecular properties such as frequencyâdependent 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.File in questo prodotto:
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