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(DOWNLOAD) "Calculations on nonlinear optical properties for large systems" by Feng Long Gu, Yuriko Aoki, Michael Springborg & Bernard Kirtman * Book PDF Kindle ePub Free

Calculations on nonlinear optical properties for large systems

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eBook details

  • Title: Calculations on nonlinear optical properties for large systems
  • Author : Feng Long Gu, Yuriko Aoki, Michael Springborg & Bernard Kirtman
  • Release Date : January 20, 2014
  • Genre: Chemistry,Books,Science & Nature,Professional & Technical,Engineering,Life Sciences,Physics,
  • Pages : * pages
  • Size : 2624 KB

Description

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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