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

Published: 1 January 2014| Version 1 | DOI: 10.17632/ws2d7gnbpt.1
Yuan-Pin Chang, Frank Filsinger, Boris G. Sartakov, Jochen Küpper


This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract 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. The program exploits the symmetry of the Hamiltonian to generate fully labeled adiabatic Stark energy curves. CMIstark  is written in Python and easily extendable, while the core numerical calculations make use of machine ... Title of program: CMIstark Catalogue Id: AEQS_v1_0 Nature of problem Calculation of the Stark effect of asymetric top molecules in arbitrarily strong dc electric fields in a correct symmetry classification and using correct labeling of the adiabatic Stark curves. Versions of this program held in the CPC repository in Mendeley Data AEQS_v1_0; CMIstark; 10.1016/j.cpc.2013.09.001



Physical Chemistry, Molecular Physics, Computational Physics