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Calculations on nonlinear optical properties for large systems - The elongation method (Paperback, 2015 ed.)
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Calculations on nonlinear optical properties for large systems - The elongation method (Paperback, 2015 ed.)
Series: SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters
Expected to ship within 10 - 15 working days
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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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