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Book synopsis

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.§

Book details

Book category Books in English Mathematics & science Chemistry Physical chemistry

• Full title: Calculations on nonlinear optical properties for large systems
• Subtitle: The elongation method
• Author: Yuriko Aoki, Feng Long Gu, Michael Springborg, Bernard Kirtman
• Language: English
• Binding: Paperback
• Number of pages: 93
• EAN: 9783319110677
• ISBN: 3319110675
• ID: 05185952
• Publisher: Springer International Publishing AG
• Weight: 2029 g
• Dimensions: 235 × 155 × 7 mm
• Date of publishing: 21. November 2014

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