Theoretical calculations on nonlinear susceptibilities of organic materials

Yuzo Itoh; Tomoyuki Hamada; Atsushi Kakuta; Akio Mukoh

doi:10.1117/12.22955

1 December 1990 Theoretical calculations on nonlinear susceptibilities of organic materials

Yuzo Itoh, Tomoyuki Hamada, Atsushi Kakuta, Akio Mukoh

Proceedings Volume 1337, Nonlinear Optical Properties of Organic Materials III; (1990) https://doi.org/10.1117/12.22955
Event: 34th Annual International Technical Symposium on Optical and Optoelectronic Applied Science and Engineering, 1990, San Diego, CA, United States

Abstract

Nonlinear susceptibilities of organic crystals are usually calculated from the molecular nonlinearities(hyperpolarizabilities) and the crystal structure data within the oriented gas model approximation. The effect of intermolecular interactions on hyperpolarizabilities, which is neglected in the approximation, is estimated quantitatively by using an ab initio molecular orbital(MO) method. Energy minimum crystal structures of typical organic nonlinear optical materials are calculated by an empirical atom-atom pairwise potential method.

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Yuzo Itoh, Tomoyuki Hamada, Atsushi Kakuta, and Akio Mukoh "Theoretical calculations on nonlinear susceptibilities of organic materials", Proc. SPIE 1337, Nonlinear Optical Properties of Organic Materials III, (1 December 1990); https://doi.org/10.1117/12.22955

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