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Proceedings Paper

The Missing States Analysis: A Method To Determine The Origin Of Nonlinear Optical Susceptibilities
Author(s): C. W. Dirk; M. G. Kuzyk
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Paper Abstract

A 'missing states' analysis is introduced and used to identify excited states and dynamics important for the second order susceptibility, x(2), and the third order susceptibility, x(3), using PPP-SCF-CI transition moments and energies and is applied to a group of organic molecules. Examination of charge distributions and bond orders for the relevant states suggests the features important for x(2) and x(3). The applicability of the two-level model and contributions of interstate coupling are also examined. Detailed results are presented for nitrobenzene and p-nitroaniline.

Paper Details

Date Published: 21 December 1988
PDF: 6 pages
Proc. SPIE 0971, Nonlinear Optical Properties of Organic Materials, (21 December 1988); doi: 10.1117/12.948210
Show Author Affiliations
C. W. Dirk, AT&T Bell Laboratories (United States)
M. G. Kuzyk, AT&T Engineering Research Center (United States)

Published in SPIE Proceedings Vol. 0971:
Nonlinear Optical Properties of Organic Materials
Garo Khanarian, Editor(s)

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