Calculations on nonlinear optical properties for large.
Language: English
Published by Springer, 2014
Series: Book 63 of 220 - SpringerBriefs in Molecular Science
- Softcover
- New
Seller: Majestic Books, Hounslow, United KingdomMajestic Books
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- Title
- Calculations on nonlinear optical properties for large.
- Author
- Bernard Kirtman Michael Springborg Yuriko Aoki Feng Long Gu
- Publisher
- Springer
- Publication year
- 2014
- Condition
- New
- Binding
- Soft cover
- Language
- English
- ISBN 10
- 3319110675
- ISBN 13
- 9783319110677
- Series
- Book 63 of 220: SpringerBriefs in Molecular Science
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.
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Majestic Books
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