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Non-Linear Optical Properties of Matter pp 129–150Cite as

SOS Methods in Calculations of Electronic NLO Properties

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

Abstract

The sum-over-states technique which is extensively used in calculations of nonlinear optical properties, is presented and discussed. We focus on the electronic contributions to first- and second-order hyperpolarizability. The SOS approach to the calculation of the multiphoton absorption is also discussed. The various approximations to exact sum-over-states formulae are presented. In particular, we describe the so-called few-levels models, which are widely used in qualitative analysis of nonlinear electrical properties

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Authors and Affiliations

  1. Institute of Physical and Theoretical Chemistry, Wrocław University of Technology, Wyb. Wyspiańskiego 27, 50-370 Wrocław, Poland

    Wojciech Bartkowiak

  2. Department of Quantum Chemistry, Faculty of Chemistry, Nicolaus Copernicus University, Gagarina 7, 87–100 Toruń, Poland

    Robert Zaleśny

Authors
  1. Wojciech Bartkowiak
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  2. Robert Zaleśny
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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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Bartkowiak, W., Zaleśny, R. (2006). SOS Methods in Calculations of Electronic NLO 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_4

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