| 书目名称 | Calculations on nonlinear optical properties for large systems |
| 副标题 | The elongation metho |
| 编辑 | Feng Long Gu,Yuriko Aoki,Bernard Kirtman |
| 视频video | http://file.papertrans.cn/221/220842/220842.mp4 |
| 概述 | Written by a leading academic.Theory is applied to biological and nano systems.Includes details on how to implement the technique.Includes supplementary material: |
| 丛书名称 | SpringerBriefs in Molecular Science |
| 图书封面 |  |
| 描述 | .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.. |
| 出版日期 | Book 2015 |
| 关键词 | (hyper)Polarizability; Application of the Elongation Method; Elongation Finite-Field (FF) Method; Elong |
| 版次 | 1 |
| doi | https://doi.org/10.1007/978-3-319-11068-4 |
| isbn_softcover | 978-3-319-11067-7 |
| isbn_ebook | 978-3-319-11068-4Series ISSN 2191-5407 Series E-ISSN 2191-5415 |
| issn_series | 2191-5407 |
| copyright | The Author(s) 2015 |
|Archiver|手机版|小黑屋|
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