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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 ... [et al.].
其他題名:	the elongation method /
其他作者:	Gu, Feng Long.
出版者:	Cham :Springer International Publishing : : 2015.,
面頁冊數:	xvi, 93 p. :ill. (some col.), digital ; : 24 cm.;
Contained By:	Springer eBooks
標題:	Nonlinear optics. -
電子資源:	http://dx.doi.org/10.1007/978-3-319-11068-4
ISBN:	9783319110684 (electronic bk.)

Calculations on nonlinear optical properties for large systems = the elongation method /
Calculations on nonlinear optical properties for large systemsthe elongation method /[electronic resource] :by Feng Long Gu ... [et al.]. - Cham :Springer International Publishing :2015. - xvi, 93 p. :ill. (some col.), digital ;24 cm. - SpringerBriefs in molecular science, Electrical and magnetic properties of atoms, molecules and clusters,2191-5407. - SpringerBriefs in molecular science.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 (electronic bk.)

Standard No.: 10.1007/978-3-319-11068-4doiSubjects--Topical Terms:

596868
Nonlinear optics.

LC Class. No.: QC446.2

Dewey Class. No.: 535.2

Calculations on nonlinear optical properties for large systems = the elongation method /
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520 $a 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.
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