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 ...
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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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New. Print on demand Contains: Illustrations, black & white, Illustrations, color. SpringerBriefs in Molecular Science ; SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters . XVI, 93 p. 18 illus., 14 illus. in color. Intended for professional and scholarly audience.
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New. Contains: Illustrations, black & white, Illustrations, color. SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters ; SpringerBriefs in Molecular Science . XVI, 93 p. 18 illus., 14 illus. in color. Intended for professional and scholarly audience.
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