Nature of the Twohyphen;Electron Chemical Bond. IV. Natural Orbitals for He2++

摘要

Natural orbital expansion coefficients are presented for the function calculated by Fraga and Ransil. It is concluded that the relative minimum and maximum in the energy as a function of distance is not accompanied by significant alterations in bonding character other than those to be expected by normal distance variation. The perturbation of He++He+by He+He++is therefore small.