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Proceedings Paper

Theoretical calculations on nonlinear susceptibilities of organic materials
Author(s): Yuzo Itoh; Tomoyuki Hamada; Atsushi Kakuta; Akio Mukoh
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Paper 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.

Paper Details

Date Published: 1 December 1990
PDF: 4 pages
Proc. SPIE 1337, Nonlinear Optical Properties of Organic Materials III, (1 December 1990); doi: 10.1117/12.22955
Show Author Affiliations
Yuzo Itoh, Hitachi, Ltd. (Japan)
Tomoyuki Hamada, Hitachi, Ltd. (Japan)
Atsushi Kakuta, Hitachi, Ltd. (Japan)
Akio Mukoh, Hitachi, Ltd. (Japan)


Published in SPIE Proceedings Vol. 1337:
Nonlinear Optical Properties of Organic Materials III
Garo Khanarian, Editor(s)

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