Abstract
We present the decomposition of interaction energies in beryllium clusters, Bem=3-6, into a series of nonidentical m-body nonadditivities up to m=6. We analyse the role of the electron correlation and compare nonadditivities at HF, CASSCF, MP2, CASPT2 and CCSD levels of theory with the reference aug-cc-pVTZ CCSD(T) results. The dominant nonadditivity terms are the three- and four-body. Five and six-body terms are relatively large in Be5-6 clusters, but the total interaction energy of Be6 is affected only marginally, due to their mutual cancellation.
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