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Calculations on nonlinear optical properties for large systems : The elongation method

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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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Detail Information

Series Title

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Call Number

620

Publisher

Cham : Springer Cham., 2014

Collation

-

Language

English

ISBN/ISSN

978-3-319-11068-4

Classification

620

Content Type

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Media Type

computer

Carrier Type

-

Edition

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Subject(s)

NANOTEKNOLOGI

Specific Detail Info

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Statement of Responsibility

Feng Long Ge et al

Other Information

Cataloger

ratna

Source

https://link.springer.com/book/10.1007/978-3-319-11068-4

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