Calculations on Nonlinear Optical Properties for Large Systems: The Elongation Method

Gu, Feng Long/ Aoki, Yuriko/ Springborg, Michael (Editor)/ Kirtman, Bernard (Editor)

ISBN 10: 3319110675 / ISBN 13: 9783319110677

Editore: Springer Verlag, 2014

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2015 edition. 93 pages. 8.75x6.00x0.25 inches. In Stock.

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Dati bibliografici

• Titolo: Calculations on Nonlinear Optical Properties for Large Systems: The Elongation Method
• Editore: Springer Verlag
• Data di pubblicazione: 2014
• Lingua: Inglese
• ISBN 10: 3319110675
• ISBN 13: 9783319110677
• Rilegatura: Paperback
• Condizione: Brand New
• Peso: 0,18 chilogrammi

Descrizione articolo

Riassunto

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.

Contenuti

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.