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- W2016224234 abstract "The electronic second hyperpolarizability γ of the carbon tetrachloride molecule is calculated by the ab initio molecular orbital method considering electron correlation with large basis sets. The static electronic γ value with the CCSD(T) method is 1.65 times the Hartree-Fock value, indicating a considerable electron correlation effect. Taking account of the frequency dispersion and vibrational effects, we estimate the most probable theoretical γ value at 800 nm to be around 17900au (9.0 × 10−36 esu). On the other hand, the experimental value recently observed by optical Kerr effect method is 10.6 × 10−36 esu at 800nm. It is concluded that the major part of the experimental χ(3) value of carbon tetrachloride can account for the static electronic hyperpolarizability." @default.
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- W2016224234 date "2003-01-10" @default.
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- W2016224234 title "Electronic second hyperpolarizability of the carbon tetrachloride molecule" @default.
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- W2016224234 doi "https://doi.org/10.1080/00268970210162772" @default.
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