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Proceedings Paper

Second-order nonlinear optical crystal susceptibility: computational approach
Author(s): Tatiana V. Timofeeva; Kyrill Suponitsky; Beatriz H. Cardelino; Ronald D. Clark
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Paper Abstract

A computer program has been developed to calculate crystal susceptibility tensor components. In addition to previous considerations where molecular polarization tensors have been treated as 1D or 2D, the present program allows the use of the 3D case that appears necessary for non-planar molecules. Calculation of crystal susceptibility is based on the approximation of relatively weak intermolecular forces in relation to intramolecular ones. Local field corrections have been estimated using simple Lorentz form. To provide molecular second-order polarizability, a semiempirical quantum chemical calculation has been carried out using the finite field method incorporated in the MOPAC program.

Paper Details

Date Published: 11 October 1999
PDF: 9 pages
Proc. SPIE 3796, Organic Nonlinear Optical Materials, (11 October 1999); doi: 10.1117/12.368279
Show Author Affiliations
Tatiana V. Timofeeva, New Mexico Highlands Univ. (United States)
Kyrill Suponitsky, New Mexico Highlands Univ. (United States)
Beatriz H. Cardelino, Spelman College (United States)
Ronald D. Clark, New Mexico Highlands Univ. (United States)

Published in SPIE Proceedings Vol. 3796:
Organic Nonlinear Optical Materials
Manfred Eich; Manfred Eich; Mark G. Kuzyk, Editor(s)

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