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Calculations on nonlinear optical properties for large systems: The elongation method (SpringerBriefs in Molecular Science) - Softcover

Buch 63 von 220: SpringerBriefs in Molecular Science

Gu, Feng Long

 
9783319110677: Calculations on nonlinear optical properties for large systems: The elongation method (SpringerBriefs in Molecular Science)
Softcover
ISBN 10: 3319110675 ISBN 13: 9783319110677
Verlag: Springer, 2014

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.

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Verlag
Springer
Erscheinungsdatum
2014
Sprache
Englisch
ISBN 10 
3319110675
ISBN 13 
9783319110677
Einband
Taschenbuch
Anzahl der Seiten
112
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