Raman Selection Rules Calculator: A simplified selection rules calculator for Raman spectroscopy experiment

Abstract

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.

Keywords

• Raman spectroscopy
• Selection rules
• Node.js
• Python