화학공학소재연구정보센터
Chemical Physics Letters, Vol.584, 49-52, 2013
Potential energy function for HeS+ and transport properties of S+ in He
The interaction potential energy curve for HeS+ is obtained directly from experimental ion mobility values and by ab initio calculations. The potentials are compared to similar results for HeS-. It is concluded that the experimentally-inferred potential may be more accurate than the ab initio potential because spin-orbit interactions have not been included in the latter. (C) 2013 Elsevier B. V. All rights reserved.