Potential energy curves for the interaction of Ag(5s) and Ag(5p) with noble gas atoms
Citation
Loreau, J., H. R. Sadeghpour, and A. Dalgarno. 2013. “Potential Energy Curves for the Interaction of Ag(5s) and Ag(5p) with Noble Gas Atoms.” The Journal of Chemical Physics 138 (8) (February 28): 084301. doi:10.1063/1.4790586.Abstract
We investigate the interaction of ground and excited states of a silver atom with noble gases (NG), including helium. Born-Oppenheimer potential energy curves are calculated with quantum chemistry methods and spin-orbit effects in the excited states are included by assuming a spin-orbit splitting independent of the internuclear distance. We compare our results with experimentally available spectroscopic data, as well as with previous calculations. Because of strong spin-orbit interactions, excited Ag-NG potential energy curves cannot be fitted to Morse-like potentials. We find that the labeling of the observed vibrational levels has to be shifted by one unit.Other Sources
https://arxiv.org/abs/1301.4575Terms of Use
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