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{ "item_title" : "Calculations on Nonlinear Optical Properties for Large Systems", "item_author" : [" Feng Long Gu", "Yuriko Aoki", "Michael Springborg "], "item_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.", "item_img_path" : "https://covers2.booksamillion.com/covers/bam/3/31/911/067/3319110675_b.jpg", "price_data" : { "retail_price" : "54.99", "online_price" : "54.99", "our_price" : "54.99", "club_price" : "54.99", "savings_pct" : "0", "savings_amt" : "0.00", "club_savings_pct" : "0", "club_savings_amt" : "0.00", "discount_pct" : "10", "store_price" : "" } }
Calculations on Nonlinear Optical Properties for Large Systems|Feng Long Gu

Calculations on Nonlinear Optical Properties for Large Systems : The Elongation Method

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Overview

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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Details

  • ISBN-13: 9783319110677
  • ISBN-10: 3319110675
  • Publisher: Springer
  • Publish Date: December 2014
  • Dimensions: 9.21 x 6.14 x 0.23 inches
  • Shipping Weight: 0.37 pounds
  • Page Count: 93

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