Calculations on nonlinear optical properties for large systems The elongation method
Language: English
Published by Palgrave Macmillan, 2014
Series: Book 63 of 220 - SpringerBriefs in Molecular Science
- Softcover
- New
Condition: New
£ 57.45
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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. Sprache: Englisch Gewicht in Gramm: 204.
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- Title
- Calculations on nonlinear optical properties for large systems The elongation method
- Author
- Bernard Kirtman, Yuriko Aoki, Feng Long Gu, Michael Springborg
- Publisher
- Palgrave Macmillan
- Publication year
- 2014
- Condition
- Neu
- Binding
- Softcover/Taschenbuch
- Language
- English
- ISBN 10
- 3319110675
- ISBN 13
- 9783319110677
- Item weight
- 204 grams
- 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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