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

Gu, Feng Long/ Aoki, Yuriko/ Springborg, Michael (Editor)/ Kirtman, Bernard (Editor)

ISBN 10: 3319110675 / ISBN 13: 9783319110677

Published by Springer Verlag, 2014

About this Item

2015 edition. 93 pages. 8.75x6.00x0.25 inches. In Stock.

Seller Inventory # x-3319110675

Bibliographic Details

• Title: Calculations on Nonlinear Optical Properties for Large Systems: The Elongation Method
• Publisher: Springer Verlag
• Publication Date: 2014
• Language: English
• ISBN 10: 3319110675
• ISBN 13: 9783319110677
• Binding: Paperback
• Condition: Brand New
• Weight: 0.18 kilograms

About this title

Synopsis

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.