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. 2017 May 16;19(22):14718–14728. doi: 10.1039/c7cp02332d

Table 2. Details of the calculated He densities, with Ni and Ri denoting the number of atoms and the radii of the ith solvation shell, respectively. The energy per helium atom [E/N] is given for three different cluster sizes. The energy gained by putting the alkali ion in a helium cluster is listed for 3000 He atoms. The maxima of the density considering all computed cluster sizes are given for the different alkali metals.

N 1 N 2 R 1 [Å] R 2 [Å] E/N [K] (128) E/N [K] (3000) E/N [K] (10 000) E SOL [K] (3000) ρ max–3]
Li 11.9 30.9 3.6 6.6 –53.82 –7.66 –6.73 –6774 0.160
Na 14.1 34.4 4.0 7.0 –37.27 –6.95 –6.52 –4644 0.150
K 17.2 39.0 4.5 7.5 –27.88 –6.55 –6.40 –3460 0.140
Rb 18.8 41.2 4.7 7.7 –25.55 –6.45 –6.37 –3164 0.136
Cs 20.9 45.7 5.0 8.1 –22.47 –6.32 –6.33 –2775 0.130