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

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Effective potential energy curves of the ground electronic state of CH+. / Sauer, Stephan P. A.; Spirko, Vladimir.

In: Journal of Chemical Physics, Vol. 138, No. 2, 024315, 2013.

Research output: Contribution to journal › Journal article › Research › peer-review

Harvard

Sauer, SPA & Spirko, V 2013, 'Effective potential energy curves of the ground electronic state of CH+', Journal of Chemical Physics, vol. 138, no. 2, 024315. https://doi.org/10.1063/1.4774374

APA

Sauer, S. P. A., & Spirko, V. (2013). Effective potential energy curves of the ground electronic state of CH+. Journal of Chemical Physics, 138(2), [024315]. https://doi.org/10.1063/1.4774374

Vancouver

Sauer SPA, Spirko V. Effective potential energy curves of the ground electronic state of CH+. Journal of Chemical Physics. 2013;138(2). 024315. https://doi.org/10.1063/1.4774374

Author

Sauer, Stephan P. A. ; Spirko, Vladimir. / Effective potential energy curves of the ground electronic state of CH+. In: Journal of Chemical Physics. 2013 ; Vol. 138, No. 2.

Bibtex

@article{301b7f6035544da0b31ffc57ccd47cb2,
title = "Effective potential energy curves of the ground electronic state of CH+",
abstract = "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+.",
author = "Sauer, {Stephan P. A.} and Vladimir Spirko",
year = "2013",
doi = "10.1063/1.4774374",
language = "English",
volume = "138",
journal = "The Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics",
number = "2",

}

RIS

TY - JOUR

T1 - Effective potential energy curves of the ground electronic state of CH+

AU - Sauer, Stephan P. A.

AU - Spirko, Vladimir

PY - 2013

Y1 - 2013

N2 - 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+.

AB - 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+.

U2 - 10.1063/1.4774374

DO - 10.1063/1.4774374

M3 - Journal article

C2 - 23320691

VL - 138

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

SN - 0021-9606

IS - 2

M1 - 024315

ER -

ID: 43260776