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Calculations on nonlinear optical properties for large systems The elongation method /
For design purposes one needs to relate the structure of proposed materials to their NLO (nonlinear optical) and other properties, which is a situation where theoretical approaches can be very helpful in providing suggestions for candidate systems that subsequently can be synthesized and studied exp...
| Clasificación: | Libro Electrónico |
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| Autores principales: | , , , |
| Autor Corporativo: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Cham :
Springer International Publishing : Imprint: Springer,
2015.
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| Edición: | 1st ed. 2015. |
| Colección: | SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters,
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| Temas: | |
| Acceso en línea: | Texto Completo |
MARC
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| 001 | 978-3-319-11068-4 | ||
| 003 | DE-He213 | ||
| 005 | 20220120012851.0 | ||
| 007 | cr nn 008mamaa | ||
| 008 | 141120s2015 sz | s |||| 0|eng d | ||
| 020 | |a 9783319110684 |9 978-3-319-11068-4 | ||
| 024 | 7 | |a 10.1007/978-3-319-11068-4 |2 doi | |
| 050 | 4 | |a QD450-801 | |
| 072 | 7 | |a PNRP |2 bicssc | |
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| 100 | 1 | |a Gu, Feng Long. |e author. |4 aut |4 http://id.loc.gov/vocabulary/relators/aut | |
| 245 | 1 | 0 | |a Calculations on nonlinear optical properties for large systems |h [electronic resource] : |b The elongation method / |c by Feng Long Gu, Yuriko Aoki, Michael Springborg, Bernard Kirtman. |
| 250 | |a 1st ed. 2015. | ||
| 264 | 1 | |a Cham : |b Springer International Publishing : |b Imprint: Springer, |c 2015. | |
| 300 | |a XVI, 93 p. 18 illus., 14 illus. in color. |b online resource. | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 347 | |a text file |b PDF |2 rda | ||
| 490 | 1 | |a SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters, |x 2730-776X | |
| 505 | 0 | |a Survey of Nonlinear Optical Materials -- Quantum-Mechanical Treatment of Responses to Electric Fields - Molecular Systems -- Quantum-Mechanical Treatment of Responses to Electric Fields - Extended Systems -- The Elongation Method -- Applications of the Elongation Method to NLO Properties -- Future Prospects. | |
| 520 | |a For design purposes one needs to relate the structure of proposed materials to their NLO (nonlinear optical) and other properties, which is a situation where theoretical approaches can be very helpful in providing suggestions for candidate systems that subsequently can be synthesized and studied experimentally. This brief describes the quantum-mechanical treatment of the response to one or more external oscillating electric fields for molecular and macroscopic, crystalline systems. To calculate NLO properties of large systems, a linear scaling generalized elongation method for the efficient and accurate calculation is introduced. The reader should be aware that this treatment is particularly feasible for complicated three-dimensional and/or delocalized systems that are intractable when applied to conventional or other linear scaling methods. | ||
| 650 | 0 | |a Chemistry, Physical and theoretical. | |
| 650 | 0 | |a Electrodynamics. | |
| 650 | 0 | |a Nanotechnology. | |
| 650 | 0 | |a Proteins . | |
| 650 | 1 | 4 | |a Theoretical Chemistry. |
| 650 | 2 | 4 | |a Classical Electrodynamics. |
| 650 | 2 | 4 | |a Nanotechnology. |
| 650 | 2 | 4 | |a Protein Biochemistry. |
| 700 | 1 | |a Aoki, Yuriko. |e author. |4 aut |4 http://id.loc.gov/vocabulary/relators/aut | |
| 700 | 1 | |a Springborg, Michael. |e author. |4 aut |4 http://id.loc.gov/vocabulary/relators/aut | |
| 700 | 1 | |a Kirtman, Bernard. |e author. |4 aut |4 http://id.loc.gov/vocabulary/relators/aut | |
| 710 | 2 | |a SpringerLink (Online service) | |
| 773 | 0 | |t Springer Nature eBook | |
| 776 | 0 | 8 | |i Printed edition: |z 9783319110691 |
| 776 | 0 | 8 | |i Printed edition: |z 9783319110677 |
| 830 | 0 | |a SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters, |x 2730-776X | |
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| 950 | |a Chemistry and Materials Science (SpringerNature-11644) | ||
| 950 | |a Chemistry and Material Science (R0) (SpringerNature-43709) | ||