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

Gu, Feng Long

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.

Details zur Ausgabe

• Verlag: Springer
• Erscheinungsdatum: 2014
• Sprache: Englisch
• ISBN 10: 3319110675
• ISBN 13: 9783319110677
• Einband: Taschenbuch
• Anzahl der Seiten: 112
• Kontakt zum Hersteller: Springer Nature Customer Service Center GmbH; ProductSafety@springernature.com; ; Europaplatz 3; Heidelberg; 69115; Deutschland