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Calculations on nonlinear optical properties for large systems = The elongation method /
紀錄類型:
書目-語言資料,印刷品 : Monograph/item
正題名/作者:
Calculations on nonlinear optical properties for large systems/ by Feng Long Gu, Yuriko Aoki, Michael Springborg, Bernard Kirtman.
其他題名:
The elongation method /
作者:
Gu, Feng Long.
其他作者:
Aoki, Yuriko.
面頁冊數:
XVI, 93 p. 18 illus., 14 illus. in color.online resource. :
Contained By:
Springer Nature eBook
標題:
Chemistry, Physical and theoretical. -
電子資源:
https://doi.org/10.1007/978-3-319-11068-4
ISBN:
9783319110684
Calculations on nonlinear optical properties for large systems = The elongation method /
Gu, Feng Long.
Calculations on nonlinear optical properties for large systems
The elongation method /[electronic resource] :by Feng Long Gu, Yuriko Aoki, Michael Springborg, Bernard Kirtman. - 1st ed. 2015. - XVI, 93 p. 18 illus., 14 illus. in color.online resource. - SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters,2730-7751. - SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters,.
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.
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.
ISBN: 9783319110684
Standard No.: 10.1007/978-3-319-11068-4doiSubjects--Topical Terms:
557299
Chemistry, Physical and theoretical.
LC Class. No.: QD450-801
Dewey Class. No.: 541.2
Calculations on nonlinear optical properties for large systems = The elongation method /
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