Calculations on nonlinear optical properties for large.

Bernard Kirtman Michael Springborg Yuriko Aoki Feng Long Gu Bernard Kirtman Michael Springborg Feng Long Gu Yuriko Aoki

ISBN 10: 3319110675 / ISBN 13: 9783319110677

Verlag: Springer, 2014

Beschreibung

Bestandsnummer des Verkäufers 18357381289

Bibliografische Details

• Titel: Calculations on nonlinear optical properties for large.
• Verlag: Springer
• Erscheinungsjahr: 2014
• Sprache: Englisch
• ISBN-10: 3319110675
• ISBN-13: 9783319110677
• Einband: Softcover
• Zustand: New

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Inhaltsangabe

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.