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

Livre 63 sur 220: SpringerBriefs in Molecular Science

Gu, Feng Long; Aoki, Yuriko

 
9783319110677: Calculations on nonlinear optical properties for large systems: The elongation method
Couverture souple
ISBN 10 : 3319110675 ISBN 13 : 9783319110677
Editeur : Springer, 2014

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.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

À propos de la quatrième de couverture

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.

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Éditeur
Springer
Date d'édition
2014
Langue
anglais
ISBN 10 
3319110675
ISBN 13 
9783319110677
Reliure
Broché
Nombre de pages
93
Éditeur
Springborg Michael, Kirtman Bernard
Coordonnées du fabricant
non disponible
Personne responsable
non disponible