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Comparison of the interactions in the rare gas hydride and Group 2 metal hydride anions
2014
Journal of Chemical Physics
We study both the rare gas hydride anions, RG-H − (RG = He-Rn) and Group 2 (Group IIa) metal hydride anions, M IIa H − (M IIa = Be-Ra), calculating potential energy curves at the CCSD(T) level with augmented quadruple and quintuple basis sets, and extrapolating the results to the basis set limit. We report spectroscopic parameters obtained from these curves; additionally, we study the Be-He complex. While the RG-H − and Be-He species are weakly bound, we show that, as with the previously
doi:10.1063/1.4865749
pmid:24588166
fatcat:xkaasvpotvaqnmgfwkybl3jtli