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  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., Filsinger, F., Sartakov, B. G., & Küpper, J. (2014). CMIstark: Python package for the Stark-effect calculation and symmetry classification of linear, symmetric and asymmetric top wavefunctions in dc electric fields. Computer Physics Communications, 185(1), 339-349. doi:10.1016/j.cpc.2013.09.001.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0014-65C4-3 Version Permalink: https://hdl.handle.net/21.11116/0000-0004-D8BC-5
Genre: Journal Article

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1308.4076v2.pdf (Preprint), 2MB
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https://hdl.handle.net/11858/00-001M-0000-0018-FFFC-8
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arXiv:1308.4076v2 [physics.atm-clus] 3 Sep 2013
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2014
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Elsevier
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 Creators:
Chang, Yuan-Pin1, Author
Filsinger, Frank2, Author           
Sartakov, Boris G.3, Author
Küpper, Jochen1, 4, 5, Author
Affiliations:
1Center for Free-Electron Laser Science, DESY, Notkestrasse 85, 22607 Hamburg, Germany, ou_persistent22              
2Molecular Physics, Fritz Haber Institute, Max Planck Society, ou_634545              
3General Physics Institute RAS, Vavilov str. 38, 119991, Moscow, Russia, ou_persistent22              
4Department of Physics, University of Hamburg, ou_persistent22              
5The Hamburg Center for Ultrafast Imaging, Luruper Chaussee 149, 22761 Hamburg, Germany, ou_persistent22              

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 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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Language(s): eng - English
 Dates: 2013-09-022013-05-282013-09-042013-09-132014-01-01
 Publication Status: Issued
 Pages: 11
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1016/j.cpc.2013.09.001
 Degree: -

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Title: Computer Physics Communications
  Other : Comput. Phys. Commun.
Source Genre: Journal
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Publ. Info: Amsterdam : North-Holland
Pages: - Volume / Issue: 185 (1) Sequence Number: - Start / End Page: 339 - 349 Identifier: ISSN: 0010-4655
CoNE: https://pure.mpg.de/cone/journals/resource/954925392326