Calculations on nonlinear optical properties for large systems
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 exp...
Đã lưu trong:
| Những tác giả chính: | , , |
|---|---|
| 格式: | 图书 |
| 语言: | English |
| 出版: |
Springer
2015
|
| 主题: | |
| 在线阅读: | https://scholar.dlu.edu.vn/thuvienso/handle/DLU123456789/57684 |
| 标签: |
添加标签
没有标签, 成为第一个标记此记录!
|
| Thư viện lưu trữ: | Thư viện Trường Đại học Đà Lạt |
|---|
| 总结: | 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. |
|---|