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Photo double ionization spectra of CO: Comparison of theory with experiment

Lookup NU author(s): Peter Kreynin, Dr Iain McNab

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Abstract

High level ab initio calculations have been undertaken of potential energy curves of CO2+ (and for the CO neutral ground state). The accuracy of the potentials was tested by a synthesis of the available vibrationally resolved threshold photoelectrons in coincidence (TPEsCO) and time of flight, photo electron photo electron coincidence (TOF-PEPECO) spectra of CO 2+. Good agreement was found between experimental and theoretical spectra once relative energies of the calculated double ionization energies were slightly adjusted (by approximately 1%) to match experiment. Vibrational separations within individual electronic states are very well reproduced (the worst error is 0.07%).

Publication metadata

Author(s): Eland JHD, Hochlaf M, King GC, Kreynin PS, LeRoy RJ, McNab IR, Robbe J-M

Publication type: Article

Publication status: Published

Journal: Journal of Physics B: Atomic, Molecular and Optical Physics

Year: 2004

Volume: 37

Issue: 15

Pages: 3197-3214

ISSN (print): 0953-4075

ISSN (electronic): 1361-6455

Publisher: Institute of Physics Publishing Ltd

URL: http://dx.doi.org/10.1088/0953-4075/37/15/014

DOI: 10.1088/0953-4075/37/15/014

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