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02737nam a22004695i 4500 |
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978-3-319-08320-9 |
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DE-He213 |
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20151204164159.0 |
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cr nn 008mamaa |
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140905s2014 gw | s |||| 0|eng d |
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|a 9783319083209
|9 978-3-319-08320-9
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|a 10.1007/978-3-319-08320-9
|2 doi
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|d GrThAP
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|a QD450-801
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|a SCI013050
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|a 541.2
|2 23
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|a Goncharov, Vladimir.
|e author.
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|a Non-Linear Optical Response in Atoms, Molecules and Clusters
|h [electronic resource] :
|b An Explicit Time Dependent Density Functional Approach /
|c by Vladimir Goncharov.
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|a Cham :
|b Springer International Publishing :
|b Imprint: Springer,
|c 2014.
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|a XI, 70 p. 11 illus., 8 illus. in color.
|b online resource.
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|a text
|b txt
|2 rdacontent
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|a computer
|b c
|2 rdamedia
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|a online resource
|b cr
|2 rdacarrier
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|a text file
|b PDF
|2 rda
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|a SpringerBriefs in Molecular Science,
|x 2191-5407
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|a 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.
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|a 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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|a Chemistry.
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|a Chemistry, Physical and theoretical.
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|a Optical materials.
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|a Electronic materials.
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|a Chemistry.
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|a Theoretical and Computational Chemistry.
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650 |
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|a Optical and Electronic Materials.
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710 |
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|a SpringerLink (Online service)
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|t Springer eBooks
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776 |
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|i Printed edition:
|z 9783319083193
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830 |
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|a SpringerBriefs in Molecular Science,
|x 2191-5407
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856 |
4 |
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|u http://dx.doi.org/10.1007/978-3-319-08320-9
|z Full Text via HEAL-Link
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912 |
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|a ZDB-2-CMS
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|a Chemistry and Materials Science (Springer-11644)
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