Abstract
The performance of different coupled-cluster methods is evaluated for calculations of the potential energy curve of the ground state of Be2. It is shown that for highly correlated calculations the corresponding conclusions strongly depend on the quality of the basis set employed. The incorrect predictions of the Be2 potential by the CCSD model are confirmed. However, in contrast to earlier calculations with a relatively small basis set, the present CCSDT-1a results predict a correct shape of the Be2 potential energy curve. The occurrence of the long-range minimum is found to be an artifact of the unsufficiently flexible basis set.
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