Non-Linear Optical Response in Atoms, Molecules and Clusters

An Explicit Time Dependent Density Functional Approach

Vladimir Goncharov (Autor)

Buch | Softcover

XI, 70 Seiten

2014 | 2014
Springer International Publishing (Verlag)
978-3-319-08319-3 (ISBN)

Artikel merken

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.

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.

Erscheint lt. Verlag	23.9.2014
Reihe/Serie	SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters
Reihe/Serie	SpringerBriefs in Molecular Science
Zusatzinfo	XI, 70 p. 11 illus., 8 illus. in color.
Verlagsort	Cham
Sprache	englisch
Maße	155 x 235 mm
Gewicht	141 g
Themenwelt	Naturwissenschaften ► Chemie ► Allgemeines / Lexika
	Naturwissenschaften ► Chemie ► Physikalische Chemie
	Technik ► Elektrotechnik / Energietechnik
	Technik ► Maschinenbau
Schlagworte	Atom • Clusterchemie • Hyperpolarizability • Molecules in Laser Field • Molekül • Non-linear optics • Time-dependent Density Functional Theor
ISBN-10	3-319-08319-8 / 3319083198
ISBN-13	978-3-319-08319-3 / 9783319083193
Zustand	Neuware