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Potential energy curves for the interaction of Ag(5s) and Ag(5p) with noble gas atoms

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2013

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10.1063/1.4790586

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AIP Publishing
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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.

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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.

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https://arxiv.org/abs/1301.4575

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Silver, Spin orbit interactions, Ground states, Dissociation energies, Excited states

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This article is made available under the terms and conditions applicable to Other Posted Material (LAA), as set forth at Terms of Service

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http://nrs.harvard.edu/urn-3:HUL.InstRepos:30403726

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