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Calculations on Nonlinear Optical Properties for Large Systems
Calculations on Nonlinear Optical Properties for Large Systems
114,47
127,19 €
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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…
127.19
  • Publisher:
  • Year: 2014
  • Pages: 93
  • ISBN-10: 3319110675
  • ISBN-13: 9783319110677
  • Format: 15.6 x 23.4 x 0.6 cm, minkšti viršeliai
  • Language: English
  • SAVE -10% with code: EXTRA

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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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  • Author: Feng Long Gu
  • Publisher:
  • Year: 2014
  • Pages: 93
  • ISBN-10: 3319110675
  • ISBN-13: 9783319110677
  • Format: 15.6 x 23.4 x 0.6 cm, minkšti viršeliai
  • Language: English English

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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