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Reassigning the CaH+ 11Σ → 21Σ vibronic transition with CaD.

Publication ,  Journal Article
Condoluci, J; Janardan, S; Calvin, AT; Rugango, R; Shu, G; Sherrill, CD; Brown, KR
Published in: The Journal of chemical physics
December 2017

We observe vibronic transitions in CaD+ between the 11Σ and 21Σ electronic states by resonance enhanced multiphoton photodissociation spectroscopy in a Coulomb crystal. The vibronic transitions are compared with previous measurements on CaH+. The result is a revised assignment of the CaH+ vibronic levels and a disagreement with multi-state-complete-active-space second-order perturbation theory theoretical calculations by approximately 700 cm-1. Updated high-level coupled-cluster calculations that include core-valence correlations reduce the disagreement between theory and experiment to 300 cm-1.

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Published In

The Journal of chemical physics

DOI

EISSN

1089-7690

ISSN

0021-9606

Publication Date

December 2017

Volume

147

Issue

21

Start / End Page

214309

Related Subject Headings

  • Chemical Physics
  • 51 Physical sciences
  • 40 Engineering
  • 34 Chemical sciences
  • 09 Engineering
  • 03 Chemical Sciences
  • 02 Physical Sciences
 

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Condoluci, J., Janardan, S., Calvin, A. T., Rugango, R., Shu, G., Sherrill, C. D., & Brown, K. R. (2017). Reassigning the CaH+ 11Σ → 21Σ vibronic transition with CaD. The Journal of Chemical Physics, 147(21), 214309. https://doi.org/10.1063/1.5016556
Condoluci, J., S. Janardan, A. T. Calvin, R. Rugango, G. Shu, C. D. Sherrill, and K. R. Brown. “Reassigning the CaH+ 11Σ → 21Σ vibronic transition with CaD.The Journal of Chemical Physics 147, no. 21 (December 2017): 214309. https://doi.org/10.1063/1.5016556.
Condoluci J, Janardan S, Calvin AT, Rugango R, Shu G, Sherrill CD, et al. Reassigning the CaH+ 11Σ → 21Σ vibronic transition with CaD. The Journal of chemical physics. 2017 Dec;147(21):214309.
Condoluci, J., et al. “Reassigning the CaH+ 11Σ → 21Σ vibronic transition with CaD.The Journal of Chemical Physics, vol. 147, no. 21, Dec. 2017, p. 214309. Epmc, doi:10.1063/1.5016556.
Condoluci J, Janardan S, Calvin AT, Rugango R, Shu G, Sherrill CD, Brown KR. Reassigning the CaH+ 11Σ → 21Σ vibronic transition with CaD. The Journal of chemical physics. 2017 Dec;147(21):214309.

Published In

The Journal of chemical physics

DOI

EISSN

1089-7690

ISSN

0021-9606

Publication Date

December 2017

Volume

147

Issue

21

Start / End Page

214309

Related Subject Headings

  • Chemical Physics
  • 51 Physical sciences
  • 40 Engineering
  • 34 Chemical sciences
  • 09 Engineering
  • 03 Chemical Sciences
  • 02 Physical Sciences