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Proceedings Paper

A Cndovsb Program For The Calculation Of Second-Order Molecular Polarisabilities, And Its Application
Author(s): S Allen; J O Morley; D Pugh; V J Docherty
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Paper Abstract

A semi-empirical CNDOVSB computer program has been developed to calculate the second-order nonlinear optical polarisabilities of molecules. The program has been parameterised by comparison of calculated and experimental values of molecular properties over a large wavelength range. The use of the program is described, both in the evaluation of the potential of specific compounds and also to study trends in series of related molecules. In particular, the effect of conjugation length on the nonlinear optical properties of polyphenyls and polyenes is described.

Paper Details

Date Published: 28 January 1987
PDF: 7 pages
Proc. SPIE 0682, Molecular and Polymeric Optoelectronic Materials, (28 January 1987); doi: 10.1117/12.939632
Show Author Affiliations
S Allen, ICI Electronics Group (United Kingdom)
J O Morley, ICI Electronics Group (United Kingdom)
D Pugh, Strathclyde University (United Kingdom)
V J Docherty, Strathclyde University (United Kingdom)

Published in SPIE Proceedings Vol. 0682:
Molecular and Polymeric Optoelectronic Materials
Garo Khanarian, Editor(s)

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