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Issue 48, 2017
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Stability and spectral properties of the dication Ne2+2

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Abstract

The dication Ne2+2 and its stability properties are studied by ab initio methods. Assuming the Born–Oppenheimer approximation and employing multireference configuration interaction techniques, potential energy curves of its low-lying electronic spectrum have been computed and analyzed. In addition to identifying metastable electronic and vibrational states, possible electronic transitions and decay mechanisms are examined. Our results also shed new light on the role of the dication as an excimer system and the interpretation of experimentally observed continua in Ne2 ultraviolet emission spectra.

Graphical abstract: Stability and spectral properties of the dication Ne2+2

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Publication details

The article was received on 23 Oct 2017, accepted on 22 Nov 2017 and first published on 23 Nov 2017


Article type: Paper
DOI: 10.1039/C7CP07194A
Citation: Phys. Chem. Chem. Phys., 2017,19, 32433-32442
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    Stability and spectral properties of the dication Ne2+2

    J. Ackermann and H. Hogreve, Phys. Chem. Chem. Phys., 2017, 19, 32433
    DOI: 10.1039/C7CP07194A

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