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

Calculations on nonlinear optical properties for large systems

The elongation method
Herausgegeben:Aoki, Yuriko; Gu, Feng Long; Springborg, Michael; Kirtman, Bernard

• Broschiertes Buch

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.

Produktdetails

• SpringerBriefs in Molecular Science
• Verlag: Springer / Springer International Publishing / Springer, Berlin
• Artikelnr. des Verlages: 86240467, 978-3-319-11067-7
• 2015
• Seitenzahl: 112
• Erscheinungstermin: 3. Dezember 2014
• Englisch
• Abmessung: 235mm x 155mm x 7mm
• Gewicht: 204g
• ISBN-13: 9783319110677
• ISBN-10: 3319110675
• Artikelnr.: 41326136

Inhaltsangabe

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.