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Free-electron model for hyperpolarizability of the π-electron system in benzene
Purnendranath Sen,Sadhan Basu +1 more
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In this article, the hyperpolarizability of benzene was calculated using a free-electron model for the π -electron system and the results showed that only the components γ zzzz, γ xxxx, γ yyyy and γ nzzz are non-zero.Abstract:
The hyperpolarizabilities of benzene have been calculated using a free-electron model for the π-electron system. The first hyperpolarizability is identically zero. For the second hyperpolarizability only the components γ zzzz ; γ xxxx ; γ yyyy ; γ zzxx ; γ zzyy ; γ xxyy are non-zero. Some of these γ quantities show dispersion near the characteristic absorption band of the benzene molecule. The polarizability α of the π-electron system also shows similer dispersion.read more
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Ladder operators in commutator perturbation method
TL;DR: In this paper, a self-consistent and totally free scheme from representation is developed using the superoperator approach, which is a version of Van Vleck-Primas perturbation method in terms of generalized ladder operators.
References
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Calculation of static electric higher polarizabilities of closed shell organic π-electron systems using a variation method
TL;DR: In this paper, a method to evaluate the polarizability tensor of closed shell organic π-electron systems is described, and the components of the tensors of some benzenoid hydrocarbon and dye molecules are computed and compared with experimental values.
Journal ArticleDOI
Frequency dependence of the Kerr constant
TL;DR: In this paper, a double beam spectrometer was used to measure the frequency dependence of the Kerr constant with respect to the direction of the transition moment of the ground and excited states.
Journal ArticleDOI
A Mobile Electron Model for Aromatic Molecules
Klaus Rüdenberg,Robert G. Parr +1 more
TL;DR: In this paper, a three-dimensional mobile electron model for unsaturation electrons in aromatic molecules is described, which allows leakage of electrons across rings and takes aromatic atoms explicitly into account.