Calculations on nonlinear optical properties for large systems: The elongation method by Feng Long GuCalculations on nonlinear optical properties for large systems: The elongation method by Feng Long Gu

Calculations on nonlinear optical properties for large systems: The elongation method

byFeng Long Gu, Yuriko Aoki, Michael Springborg

Paperback | December 3, 2014

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For design purposes one needs to relate the structure of proposed materials to their NLO (nonlinear optical) and other properties, which is a situation where theoretical approaches can be very helpful in providing suggestions for candidate systems that subsequently can be synthesized and studied experimentally. This brief describes the quantum-mechanical treatment of the response to one or more external oscillating electric fields for molecular and macroscopic, crystalline systems. To calculate NLO properties of large systems, a linear scaling generalized elongation method for the efficient and accurate calculation is introduced. The reader should be aware that this treatment is particularly feasible for complicated three-dimensional and/or delocalized systems that are intractable when applied to conventional or other linear scaling methods.

Title:Calculations on nonlinear optical properties for large systems: The elongation methodFormat:PaperbackDimensions:93 pages, 23.5 × 15.5 × 0.02 inPublished:December 3, 2014Publisher:Springer-Verlag/Sci-Tech/TradeLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:3319110675

ISBN - 13:9783319110677

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Table of Contents

Survey of Nonlinear Optical Materials.- Quantum-Mechanical Treatment of Responses to Electric Fields - Molecular Systems.- Quantum-Mechanical Treatment of Responses to Electric Fields - Extended Systems.- The Elongation Method.- Applications of the Elongation Method to NLO Properties.- Future Prospects.