Erschienen: 03.12.2014 Abbildung von Gu / Aoki | Calculations on nonlinear optical properties for large systems | 1. Auflage | 2014 | beck-shop.de

Gu / Aoki / Springborg

Calculations on nonlinear optical properties for large systems

The elongation method

Buch. Softcover

2014

xvi, 93 S. 4 s/w-Abbildungen, 14 Farbabbildungen, 11 s/w-Tabelle, Bibliographien.

In englischer Sprache

Springer. ISBN 978-3-319-11067-7

Format (B x L): 15,5 x 23,5 cm

Gewicht: 223 g

Produktbeschreibung

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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