Journal Article

DESY-2013-01308

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png CMIstark: Python package for the Stark-effect calculation and symmetry classification of linear, symmetric and asymmetric top wavefunctions in dc electric fields

Chang, Y.-P.DESY*>CFEL* ; Filsinger, F.Extern* ; Sartakov, B. G. ; Küpper, J. (Corresponding Author)CFEL*DESY*

2014
North Holland Publ. Co. Amsterdam

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Please use a persistent id in citations: doi:10.1016/j.cpc.2013.09.001

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 optimized BLAS and LAPACK routines. Calculated energies are stored in HDF5 files for convenient access and programs to extract ASCII data or to generate graphical plots are provided.

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Contributing Institute(s):

1. CFEL-Coherent X-Ray Imaging (FS-CFEL-1)
2. CFEL-CMI (FS-CFEL-CMI)

Research Program(s):

1. Experiments at CFEL (POF2-544) (POF2-544)

Experiment(s):

1. Experiments at CFEL

Appears in the scientific report 2014

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Database coverage:
; ; Current Contents - Social and Behavioral Sciences ; JCR ; NCBI Molecular Biology Database ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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