Non-Linear Optical Response in Atom - E-book

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Non-linear Optical Response In Atoms, Molecules And Clusters - ENG

An Explicit Time Dependent Density Functional Approach

Vladimir Goncharov

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Sinopsis

ISBN:	9783319083209
Formato:	ePub
Idioma:	Inglés
Editorial:	Springer Nature
Tema:	Ciencia
Subtema:	Química física y teórica
Año de publicación:	2014-09-05

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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