R-matrix calculation of bound and continuum states of CH

The molecular R-matrix formalism is used to calculate bound and continuum states of the CH molecule. Potential energy curves for the bound states of doublet and quartet symmetry are obtained for an extended range of inter nuclear distances between 1-9 a.u. Resonance positions and widths for low-lyin...

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Bibliographic Details
Published in:Journal of physics. B, Atomic, molecular, and optical physics Atomic, molecular, and optical physics, 2019-05, Vol.52 (10), p.105205
Main Authors: Chakrabarti, K, Ghosh, R, Choudhury, B S
Format: Article
Language:English
Subjects:
bound states
dissociative states
electron collision
molecular ions
R-matrix method
resonance widths
resonances
Rydberg states
superexcited states
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Summary:The molecular R-matrix formalism is used to calculate bound and continuum states of the CH molecule. Potential energy curves for the bound states of doublet and quartet symmetry are obtained for an extended range of inter nuclear distances between 1-9 a.u. Resonance positions and widths for low-lying Feshbach resonances are also obtained for states with doublet symmetry. These resonances and their continuation as bound states below the CH+ ion ground state are used to construct dissociative states which cross the ground state of the CH+ ion. Several dissociative states of 2 , 2 + and 2 Δ symmetry, that were hitherto unknown, have been found and are expected to be useful for other collisional calculations, in particular, for the dissociative recombination of the CH+ ion.
ISSN:0953-4075
1361-6455
DOI:10.1088/1361-6455/ab121f