Ultrafast imaging of polyatomic molecules with simplex algorithm

A simplex algorithm used to solve molecular structure from asymptotic momentum values is reported. The geometry of CO 2 3 + molecular ions in linear and bent configurations is reconstructed. A polyatomic molecular ion with trigonal planar symmetry is used to demonstrate the scalability of the algori...

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Bibliographic Details
Published in:Computer physics communications 2009-02, Vol.180 (2), p.197-200
Main Authors: Brichta, Jean-Paul, Seaman, Aden N., Sanderson, Joseph H.
Format: Article
Language:English
Subjects:
Imaging
Molecule
Simplex
Structure
Ultrafast
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Summary:A simplex algorithm used to solve molecular structure from asymptotic momentum values is reported. The geometry of CO 2 3 + molecular ions in linear and bent configurations is reconstructed. A polyatomic molecular ion with trigonal planar symmetry is used to demonstrate the scalability of the algorithm.
ISSN:0010-4655
1879-2944
DOI:10.1016/j.cpc.2008.09.006