Effective potential energy curves of the ground electronic state of CH+

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This study presents e¿ective (mass-dependent) potential energy curves for the methylidyne cation, which reproduce highly accurately all the available spectral data and allow for evaluation of reliable ro-vibrational wavefunctions of the probed isotopomers. The ro-vibrational wavefunctions are then used to average ab initio calculated radial functions of the rotational g-factor and spin-rotation constants yielding rotational and vibrational matrix elements of these properties for speci¿c ro-vibrational states or transition moments for all isotopomers. The results can be of use in answering open questions concerning the formation/destruction of CH+ in the interstellar medium and in the assignment of Zeeman or hyper¿ne splittings in rotational spectra of CH+.

Original languageEnglish
Article number024315
JournalJournal of Chemical Physics
Volume138
Issue number2
Number of pages9
ISSN0021-9606
DOIs
Publication statusPublished - 2013

ID: 43260776