Calculations on nonlinear optical properties for large systems
The elongation method
(Sprache: Englisch)
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...
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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.Inhaltsverzeichnis zu „Calculations on nonlinear optical properties for large systems “
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.Bibliographische Angaben
- 2014, 2015, XVI, 93 Seiten, 14 farbige Abbildungen, Maße: 15,5 x 23,5 cm, Kartoniert (TB), Englisch
- Herausgegeben: Yuriko Aoki, Feng Long Gu, Michael Springborg, Bernard Kirtman
- Verlag: Springer, Berlin
- ISBN-10: 3319110675
- ISBN-13: 9783319110677
Sprache:
Englisch
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