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

Vladimir Goncharov

ISBN 10: 3319083198 / ISBN 13: 9783319083193

Editore: Springer International Publishing, Springer, 2014

Riguardo questo articolo

Druck auf Anfrage Neuware - Printed after ordering - 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.

Codice articolo 9783319083193

Dati bibliografici

• Titolo: Non-Linear Optical Response in Atoms, Molecules and Clusters : An Explicit Time Dependent Density Functional Approach
• Editore: Springer International Publishing, Springer
• Data di pubblicazione: 2014
• Lingua: Inglese
• ISBN 10: 3319083198
• ISBN 13: 9783319083193
• Rilegatura: Taschenbuch
• Condizione: Neu
• Dimensioni: 235 L x 155 A x 5 P (millimetri) 235 millimetri di larghezza per 155 millimetri di altezza per 5 millimetri di profondità
• Peso: 158 grammi

Descrizione articolo

Riassunto

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.

Contenuti

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.