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Description
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.
Author: Feng Long Gu, Yuriko Aoki, Michael Springborg
Publisher: Springer
Published: 12/03/2014
Pages: 93
Binding Type: Paperback
Weight: 0.37lbs
Size: 9.21h x 6.14w x 0.23d
ISBN13: 9783319110677
ISBN10: 3319110675
BISAC Categories:
- Science | Chemistry | Physical & Theoretical
- Science | Physics | Electricity
- Technology & Engineering | Nanotechnology & MEMS