Frequency-dependent hyperpolarizabilitie
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Hideo Sekino; Rodney J. Bartlett
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Article
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1995
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Elsevier Science
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English
โ 467 KB
Introducing frequency dependence in the equation-of-motion coupled-cluster method, we evaluate the optical Kerr effect for butadiene and ammonia. This permits a critical evaluation of dispersion estimates via the uncorrelated time-dependent Hartree-Fock theory. The percentage dispersions are similar