Raman Selection Rules Calculator: A simplified selection rules calculator for Raman spectroscopy experiment
Raman spectroscopy is known to be a powerful technique to obtain the symmetries of excitations of condensed matter crystalline systems thanks to the polarization-dependence selection rules of the Raman signal. To be computed, the selection rules require systematic matrix multiplications, based on gr...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2022-07-01
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| Series: | SoftwareX |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352711022000942 |
| _version_ | 1828723734790275072 |
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| author | Grégory Setnikar Julien Samson Marie-Aude Méasson |
| author_facet | Grégory Setnikar Julien Samson Marie-Aude Méasson |
| author_sort | Grégory Setnikar |
| collection | DOAJ |
| description | Raman spectroscopy is known to be a powerful technique to obtain the symmetries of excitations of condensed matter crystalline systems thanks to the polarization-dependence selection rules of the Raman signal. To be computed, the selection rules require systematic matrix multiplications, based on group theory. This is time consuming, especially when various configurations of lights polarizations and crystal orientation have to be checked. The software “Raman Selection Rules Calculator” addresses the need of fast calculations of Raman selection rules in the most general cases, including for non-trivial orientation. The software has been designed to be easy to use and accessible on a large number of platforms, Windows, Mac, Linux and on-line. |
| first_indexed | 2024-04-12T12:54:47Z |
| format | Article |
| id | doaj.art-696c694bd48c46e090d0c20c7b5d4a12 |
| institution | Directory Open Access Journal |
| issn | 2352-7110 |
| language | English |
| last_indexed | 2024-04-12T12:54:47Z |
| publishDate | 2022-07-01 |
| publisher | Elsevier |
| record_format | Article |
| series | SoftwareX |
| spelling | doaj.art-696c694bd48c46e090d0c20c7b5d4a122022-12-22T03:32:21ZengElsevierSoftwareX2352-71102022-07-0119101152Raman Selection Rules Calculator: A simplified selection rules calculator for Raman spectroscopy experimentGrégory Setnikar0Julien Samson1Marie-Aude Méasson2Univ. Grenoble Alpes, CNRS, Grenoble INP, Institut Néel, 38000 Grenoble, FranceUniv. Grenoble Alpes, CNRS, Grenoble INP, Institut Néel, 38000 Grenoble, FranceCorresponding author.; Univ. Grenoble Alpes, CNRS, Grenoble INP, Institut Néel, 38000 Grenoble, FranceRaman spectroscopy is known to be a powerful technique to obtain the symmetries of excitations of condensed matter crystalline systems thanks to the polarization-dependence selection rules of the Raman signal. To be computed, the selection rules require systematic matrix multiplications, based on group theory. This is time consuming, especially when various configurations of lights polarizations and crystal orientation have to be checked. The software “Raman Selection Rules Calculator” addresses the need of fast calculations of Raman selection rules in the most general cases, including for non-trivial orientation. The software has been designed to be easy to use and accessible on a large number of platforms, Windows, Mac, Linux and on-line.http://www.sciencedirect.com/science/article/pii/S2352711022000942Raman spectroscopySelection rulesNode.jsPython |
| spellingShingle | Grégory Setnikar Julien Samson Marie-Aude Méasson Raman Selection Rules Calculator: A simplified selection rules calculator for Raman spectroscopy experiment SoftwareX Raman spectroscopy Selection rules Node.js Python |
| title | Raman Selection Rules Calculator: A simplified selection rules calculator for Raman spectroscopy experiment |
| title_full | Raman Selection Rules Calculator: A simplified selection rules calculator for Raman spectroscopy experiment |
| title_fullStr | Raman Selection Rules Calculator: A simplified selection rules calculator for Raman spectroscopy experiment |
| title_full_unstemmed | Raman Selection Rules Calculator: A simplified selection rules calculator for Raman spectroscopy experiment |
| title_short | Raman Selection Rules Calculator: A simplified selection rules calculator for Raman spectroscopy experiment |
| title_sort | raman selection rules calculator a simplified selection rules calculator for raman spectroscopy experiment |
| topic | Raman spectroscopy Selection rules Node.js Python |
| url | http://www.sciencedirect.com/science/article/pii/S2352711022000942 |
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