Second hyperpolarizabilities of 1-center radicals

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Osaka Univ, Osaka, Japan [1 ]
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Synth Met | / 1 -3 pt 2卷 / 1554-1555期
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Charged particles - Electron resonance - Electronic structure - Ground state - Molecules - Nonlinear optics;
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摘要：
We study the second hyperpolarizabilities (γ) for 1-center radicals, i.e., BH3-, CH3 and NH3+. It is found that magnitudes of γ(|γ|) of the radicals are sensitively influenced by features of each charged state. It is also found that electron-correlation dependence of γ can be related to the resonance structure contributing to the ground state of the molecules
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