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.
Produkteigenschaften
- Artikelnummer: 9783319110677
- Medium: Buch
- ISBN: 978-3-319-11067-7
- Verlag: Springer International Publishing
- Erscheinungstermin: 03.12.2014
- Sprache(n): Englisch
- Auflage: 2015
- Serie: SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters
- Produktform: Kartoniert, Paperback
- Gewicht: 2029 g
- Seiten: 93
- Format (B x H x T): 155 x 235 x 7 mm
- Ausgabetyp: Kein, Unbekannt