Interaction energies for low-lying electronic states of NaH and NaH−: Scattering of H− by alkali atoms

Extensive ab initio configuration interaction calculations have been performed for the seven lowest states of NaH and the four lowest 2Σ states of NaH−. Representative potential well parameters Re and De for the X 1Σ, A 1Σ, and C 1Σ states of NaH are 3.558 ao, 1.922 eV; 5.992 ao, 1.239 eV; and 11.88 ao, 0.787 eV, respectively. From the NaH− calculations, the adiabatic molecular electron affinity of NaH is found to be 0.373 eV. The molecular calculations on the low-lying states of NaH− allow us to predict that the mechanism for low energy electron loss in the H−+Na→H°+... reaction is primarily due to interactions with the H°+Na− charge transfer state. Cross sections are presented fo the H−+Na, K, Rb, and Cs electron loss reactions.