Calculations on nonlinear optical properties for large systems
The elongation method
Seiten
2014
Springer International Publishing (Verlag)
978-3-319-11067-7 (ISBN)
Springer International Publishing (Verlag)
978-3-319-11067-7 (ISBN)
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.
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.
| Erscheint lt. Verlag | 3.12.2014 |
|---|---|
| Reihe/Serie | SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters | SpringerBriefs in Molecular Science |
| Zusatzinfo | XVI, 93 p. 18 illus., 14 illus. in color. |
| Verlagsort | Cham |
| Sprache | englisch |
| Maße | 155 x 235 mm |
| Gewicht | 183 g |
| Themenwelt | Naturwissenschaften ► Biologie ► Biochemie |
| Naturwissenschaften ► Chemie ► Physikalische Chemie | |
| Naturwissenschaften ► Physik / Astronomie ► Optik | |
| Technik | |
| Schlagworte | Application of the Elongation Method • Elongation Finite-Field (FF) Method • Elongation nlo Polarizability • (hyper)Polarizability • Linear Scaling Methods • Molecule Hyperpolarizability • nlo Calculation • NLO Calculations for Large Systems • NLO Phenomenon |
| ISBN-10 | 3-319-11067-5 / 3319110675 |
| ISBN-13 | 978-3-319-11067-7 / 9783319110677 |
| Zustand | Neuware |
| Informationen gemäß Produktsicherheitsverordnung (GPSR) | |
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