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• W2053149135 endingPage "3780" @default.
• W2053149135 startingPage "3773" @default.
• W2053149135 abstract "A new modification of the second-order polarization propagator approximation (SOPPA) is presented. In the new method, called SOPPA(CCSD), all first-order Møller - Plesset doubles and second-order Møller - Plesset singles correlation coefficients are replaced with the corresponding coupled-cluster singles and doubles (CCSD) and amplitudes. This is in contrast to the earlier coupled-cluster polarization propagator approximation (CCSDPPA) in which only one of the doubles correlation coefficients was replaced in the unrelaxed second-order density matrix. The importance of this modification is investigated for the dipole polarizability, dipole oscillator strength sum rules and second hyperpolarizability of , which is known to be a difficult case for perturbative methods. The SOPPA(CCSD) values are compared with previous and new full CI results for the same basis sets." @default.
• W2053149135 created "2016-06-24" @default.
• W2053149135 creator A5086252340 @default.
• W2053149135 date "1997-09-14" @default.
• W2053149135 modified "2023-09-25" @default.
• W2053149135 title "Second-order polarization propagator approximation with coupled-cluster singles and doubles amplitudes - SOPPA(CCSD): the polarizability and hyperpolarizability of" @default.
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• W2053149135 doi "https://doi.org/10.1088/0953-4075/30/17/007" @default.
• W2053149135 hasPublicationYear "1997" @default.
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