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Non-Linear Optical Properties of Matter pp 101–128Cite as

Determination of Vibrational Contributions to Linear and Nonlinear Optical Properties

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Part of the book series: Challenges and Advances in Computational Chemistry and Physics ((COCH,volume 1))

Abstract

A review of methods for calculating vibrational contributions to linear and nonlinear optical properties is presented. Our aim is to provide an overview of the various approaches that have been developed using illustrative equations supplemented with references to the detailed formulations. The treatment of electrical and mechanical anharmonicity is considered in some detail for resonant as well as non-resonant processes. Issues such as the choice of basis set, the treatment of electron correlation, and the convergence of perturbation expansions are examined. Although much of the presentation is general, there is a special emphasis on organic pi-conjugated systems

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Author information

Authors and Affiliations

  1. Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106

    B. Kirtman

  2. Institute of Computational Chemistry and Department of Chemistry, University of Girona, Campus de Montilivi, 17071 Girona, Catalonia, Spain

    J.M. Luis

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  1. B. Kirtman
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  2. J.M. Luis
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Editors and Affiliations

  1. National Hellenic Research Foundation, Greece

    Manthos G. Papadopoulos

  2. Nicolaus Copernicus University, Poland

    Andrzej J. Sadlej

  3. Jackson State University, USA

    Jerzy Leszczynski

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Kirtman, B., Luis, J. (2006). Determination of Vibrational Contributions to Linear and Nonlinear Optical Properties. In: Papadopoulos, M.G., Sadlej, A.J., Leszczynski, J. (eds) Non-Linear Optical Properties of Matter. Challenges and Advances in Computational Chemistry and Physics, vol 1. Springer, Dordrecht. https://doi.org/10.1007/1-4020-4850-5_3

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