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Non-Linear Optical Response in Atoms, Molecules and Clusters: An Explicit Time Dependent Density Functional Approach: SpringerBriefs in Molecular Science

Autor Vladimir Goncharov
en Limba Engleză Paperback – 23 sep 2014
The aim of this brief is to present, in sufficient detail, a non-perturbative technique for calculating optical hyperpolarizabilities. The ability to efficiently compute hyperpolarizabilities, for a variety of different molecular systems, makes this brief invaluable for those engaged in the computational design of new electro-optical materials. The resulting computation is very predictable and suitable for automation, in contrast to perturbative methods that typically rely on iterative methods. The methodology which is wholly applicable to atoms, molecules, clusters (and with some modifications) to condensed matter, is described and illustrated at a level that is accessible to theoreticians and supplemented with details that should be of interest to practitioners.
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Specificații

ISBN-13: 9783319083193
ISBN-10: 3319083198
Pagini: 81
Ilustrații: XI, 70 p. 11 illus., 8 illus. in color.
Dimensiuni: 155 x 235 x 7 mm
Greutate: 0.13 kg
Ediția:2014
Editura: Springer International Publishing
Colecția Springer
Seriile SpringerBriefs in Molecular Science, SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters

Locul publicării:Cham, Switzerland

Public țintă

Research

Cuprins

Introduction.- Response functions.- Density Functional Perturbation Theory.- Real Time method.- Response Functions from Real Time TDDFT.- Nonlinear Response in Atoms, Molecules and Clusters.- Extension to Condensed Matter and Outlook.

Caracteristici

Presents new and established techniques For practitioners of theoretical models A good companion to established texts Suitable for automatic high throughput calculations Includes supplementary material: sn.pub/extras