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SOS Calculation of Nonlinear Optical Propertiesof Synthesized ASPBPh_4

SOS Calculation of Nonlinear Optical Properties of Synthesized ASPBPh_4
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摘要 The two-photon absorption induced lasing spectrum shows that the synthesized ASPBPh4, trans-4- [p- (N-methyl-N- (hydroxyethyl)amino) styryl]-N-methylpyridinium, has a distinct ef- ficiency of laser frequency up-conversion. This nonlinear optical property of such a kind of com- pounds is related to two-photon absorption (TPA). In our work, we used the intermediate ne- glect of differential overlap (INDO) plus single-excitation configuration interaction (SCI) method to get the basic properties of the molecule, and calculated the second hyperpolarizability and the cross section of two-photon absorption by means of sum-over-state (SOS) expression. The rela- tionship between the structure and the properties is discussed. The two-photon absorption induced lasing spectrum shows that the synthesized ASPBPh4, trans-4- [p- (N-methyl-N- (hydroxyethyl)amino) styryl]-N-methylpyridinium, has a distinct ef- ficiency of laser frequency up-conversion. This nonlinear optical property of such a kind of com- pounds is related to two-photon absorption (TPA). In our work, we used the intermediate ne- glect of differential overlap (INDO) plus single-excitation configuration interaction (SCI) method to get the basic properties of the molecule, and calculated the second hyperpolarizability and the cross section of two-photon absorption by means of sum-over-state (SOS) expression. The rela- tionship between the structure and the properties is discussed.
出处 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2001年第2期207-211,共5页 高等学校化学研究(英文版)
基金 grant from the State Key Program of China.
关键词 Two-photon absorption Semiempirical method Sum-over-state Two-photon absorption Semiempirical method Sum-over-state
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