D2hTDS-ST software for Stark spectrum simulation of X2Y4 asymmetric-top molecules

We present the D2hTDS-ST (D2h-Top Data System for Stark effect) program suite with the aim to simulate Stark spectra of any IR active rovibrational polyad of X2Y4 (D2h) asymmetric-top molecules. D2hTDS-ST consists in a series of FORTRAN programs called by scripts. For calculation of Stark spectra, we obtained the expressions of the dipole moment and polarizability operators of X2Y4 molecules using a tensorial formalism. For convenience, we integrated the D2hTDS-ST programs into the D2hTDS package.The D2hTDS suite (including the D2hTDS-ST programs) is freely available at the URL: http://icb.u-bourgogne.fr/OMR/SMA/SHTDS/D2HTDS.html.

Research Highlights► Software for the simulation of Stark spectra of X2Y4 molecules. ► Stark effect using tensorial formalism. ► Correspondence between the tensorial formalism and the Wigner functions theory.