Trimer estimate binding energie

In Table II the results of our calculations [22] of the equilibrium geometry and binding energy together with the published data are presented. A comparison with literature data indicates a quite satisfactory agreement. The values of the binding energy for the trimers Be3 and Mg3 are very close to the best estimations in Ref. [18]. 

O Figure 21-3 shows the global minimum structures of the water clusters n = 2-5 and O Fig. 21-4 shows the variation of their uncorrected and BSSE-corrected binding energies from MP2 calculations with the correlation-consistent basis sets (Xantheas et al. 2002). The CBS limit of-15.8 kcal/mol for the cyclic trimer was estimated from MP2 binding energies with basis sets up to aug-cc-pV5Z. 

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