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• W1963668304 abstract "By exploiting the similarities between response theory and analytic derivative theory, we present a scheme for calculating frequency-dependent hyperpolarizabilities at the coupled-cluster level within the framework for analytic third derivatives. This has been implemented for arbitrary levels of coupled-cluster theory up to the full-configuration-interaction limit. An investigation of some small molecules shows that the inclusion of triple excitations is essential for an accurate description of hyperpolarizabilities." @default.
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• W1963668304 date "2007-10-04" @default.
• W1963668304 modified "2023-10-18" @default.
• W1963668304 title "Calculation of frequency-dependent hyperpolarizabilities using general coupled-cluster models" @default.
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• W1963668304 doi "https://doi.org/10.1063/1.2770714" @default.
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• W1963668304 hasPublicationYear "2007" @default.
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