Titlebook: Calculations on nonlinear optical properties for large systems; The elongation metho Feng Long Gu,Yuriko Aoki,Bernard Kirtman Book 2015 The

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https://doi.org/10.1007/978-0-387-09543-1ear scaling, the accuracy of the calculated field-free, finite field and NLO properties is established through comparison with conventional finite-system and infinite-periodic-system calculations. Results are presented for quasilinear systems including conjugated polymers, nanotubes, nanowires, etc.

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,Quantum-Mechanical Treatment of Responses to Electric Fields—Extended Systems,e regular and so large that they can be considered as being infinite and periodic. Moreover, it is demonstrated that even the linear responses to static electric fields depend on the surfaces of the systems, although these need not be included directly in the calculations. Also perturbation-theoreti

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2191-5407 upplementary material: .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 syn

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,Quantum-Mechanical Treatment of Responses to Electric Fields—Extended Systems,ic electric fields depend on the surfaces of the systems, although these need not be included directly in the calculations. Also perturbation-theoretical treatments of linear and non-linear responses to oscillatory fields are discussed. We consider both the vector-potential and the scalar-potential treatment of the electric fields.

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