1 December 1990 Theoretical calculations on nonlinear susceptibilities of organic materials
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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.
© (1990) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
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); doi: 10.1117/12.22955; https://doi.org/10.1117/12.22955
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