Quantum Mechanical Methods for Predicting Nonlinear Optical Properties

Quantum Mechanical Methods for Predicting Nonlinear Optical Properties 

In this tutorial on the basic ideas and modern methods of computational chemistry used for the prediction of nonlinear optical properties, the focus is on the most common computational techniques applicable to molecules. The chapter is not meant to be an exhaustive review of nonlinear optical theories, nor is it a compendium of results. Although much is omitted from this chapter, there exist several earlier reviews on the general subject of nonlinear optics that help form a broad foundation for this work. The material in this chapter will, hopefully, be of value to readers who are interested in learning enough about computational nonlinear optical methods to discern the differences between high and low quality results and limitations of modern methodologies, and to readers who would like to join the effort to improve the calculations. 

The initial part of this chapter discusses examples of current applications requiring a knowledge on nonlinear optical (NLO) properties followed by a sec- 

Reviews in Computational Chemistry, Volume 12 Kenny B. Lipkowitz and Donald B. Boyd, Editors Wiley-VCH, John Wiley and Sons, Inc., New York, 1998 

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Henry A. Kurtz and Douglas S. Dudis, Quantum Mechanical Methods for Predicting Nonlinear Optical Properties. 

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