Model calculations of the first hyperpolarisability per unit cell of finite and infinite polymethineimine chains

Benoit Champagne; Denis Jacquemin; Jean-Marie Andre

doi:10.1117/12.222820

5 October 1995 Model calculations of the first hyperpolarisability per unit cell of finite and infinite polymethineimine chains

Benoit Champagne, Denis Jacquemin, Jean-Marie Andre

Author Affiliations +

Proceedings Volume 2527, Nonlinear Optical Properties of Organic Materials VIII; (1995) https://doi.org/10.1117/12.222820
Event: SPIE's 1995 International Symposium on Optical Science, Engineering, and Instrumentation, 1995, San Diego, CA, United States

Abstract

The longitudinal component of the static first hyperpolarizability per unit cell of model finite and infinite polymethineimine chains has been computed at the uncoupled Hartree-Fock level of approximation. Particular attention has been paid to the correspondence between the results associated with the large oligomers and the direct polymeric results. We have investigated as a function of increasingly large chain length the effects of the heteroatomicity and the bond alternation upon the electron density alternation and centro-symmetry which modulate the amplitude of the longitudinal first hyperpolarizability per unit cell.

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Benoit Champagne, Denis Jacquemin, and Jean-Marie Andre "Model calculations of the first hyperpolarisability per unit cell of finite and infinite polymethineimine chains", Proc. SPIE 2527, Nonlinear Optical Properties of Organic Materials VIII, (5 October 1995); https://doi.org/10.1117/12.222820

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