Reassigning the CaH+ vibronic transitions with CaD+ paper published in J. of Chem. Phys.

We observe vibronic transitions in CaD+ 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 MS-CASPT2 theoretical calculations by approximately 700 wavenumbers. Updated high-level coupled-cluster calculations that include core-valence correlations reduce the disagreement between theory and experiment to 300 wavenumbers.

The Journal of Chemical Physics (Vol.147, Issue 21)

DOI: 10.1063/1.5016556