Non-linear optical response in atoms, molecules and clusters : an explicit time dependent density functional approach /
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 computat...
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| Format: | eBook |
| Language: | English |
| Published: |
Cham
Springer International Publishing
2014.
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| Series: | SpringerBriefs in Molecular Science
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| Subjects: | |
| Online Access: | Click here to view the full text content |
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| Summary: | 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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| Physical Description: | 1 online resource (XI, 70 pages) 11 illustration, 8 illustration in colour. |
| ISBN: | 9783319083209 |
| ISSN: | 2191-5407 |