CMIstark: Python package for the Stark-effect calculation and symmetry classification of linear, symmetric and asymmetric top wavefunctions in dc electric fields

TLDR: The Controlled Molecule Imaging group (CMI) at the Center for Free Electron Laser Science (CFEL) has developed the CMIstark software to calculate, view, and analyze the energy levels of adiabatic Stark energy curves of linear, symmetric top and asymmetric top molecules using the symmetry of the Hamiltonian.

About: This article is published in Computer Physics Communications.The article was published on 2014-01-01 and is currently open access. It has received 38 citations till now. The article focuses on the topics: NumPy & Stark effect.

Figures

Table D.2 Character table for the four group V.

Table 1 Types of rotors defined through their inertial parameters.

Fig. 2. (L) Stark energies and (R) effective dipole moments (µeff) of OCS, iodomethane, and indole for theM = 0 (black),M = 1 (blue), andM = 2 (red) levels of J = 0− 2. (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)

Fig. 1. Schematic illustration of the factoring of the Hamiltonian matrix into blocks, labeled by HMi , in terms of M (depicted by dashed lines) and symmetry. Non-zero elements are only present in the shaded blocks. The number of shaded blocks in each M block depends on the molecular properties, i. e., the symmetry and the dipole moment direction; see text for details.