Size-dependent potential energy function results

Figure 15. The potential energy surfaces for the excess electron bubble states in C He) clusters portraying the total energy EtiRi, R, N) versus the bubble radius Rf, for fixed values of N marked on the curves. The open and full points represent the results of the computations for the clusters using the density functional method for Ej Ri, R, N) and the quantum mechanical treatment for Ee(Ri, R, N), while for the bulk we took Ed Rb, R — oo, iV oo) = AttyR. The black point ( ) on each configurational diagram represents the equilibrium bubble radius. The Rj-dependence of the energy of the quasi-free electron state Vo(Rt, R, N) in the cluster of the smallest size of N = 6.5 X 10 (dashed line) and the bulk value of To (solid line) are also presented. The To values for each Rj, for iV = 8.1 x 10 to 1.88 x 10 fall between these two nearly straight fines.

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