Non-Linear Optical Response in Atoms, Molecules and Clusters

An Explicit Time Dependent Density Functional Approach

  • Vladimir¬†Goncharov

Part of the SpringerBriefs in Molecular Science book series (BRIEFSMOLECULAR)

Also part of the SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters book sub series (BRIEFSMAGNET)

Table of contents

  1. Front Matter
    Pages i-xi
  2. Vladimir Goncharov
    Pages 1-7
  3. Vladimir Goncharov
    Pages 9-19
  4. Vladimir Goncharov
    Pages 21-34
  5. Vladimir Goncharov
    Pages 35-39
  6. Vladimir Goncharov
    Pages 41-55
  7. Vladimir Goncharov
    Pages 65-67
  8. Back Matter
    Pages 69-70

About this book


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.


Hyperpolarizability Molecules in Laser Field Non-linear Optics Time-dependent Density Functional Theor

Authors and affiliations

  • Vladimir¬†Goncharov
    • 1
  1. 1.Physics and AstronomyVanderbilt UniversityNashvilleUSA

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