Abstract
A new approximation is presented for calculations within the Local Ansatz, a scheme that allows to perform ab-initio correlation calculations for solids. While the approximations made so far when using this method do not give a perfect treatment of long range screening, this modification is able to handle them well. In addition a few more strongly correlated cases than before can be accounted for, although one is still far from treating the strongly correlated limit in general. The approximation consists in solving the complete Coupled-Cluster-equations in the subspace of those local two-particle operators constructed by the Local Ansatz. Such a treatment does not require sizeable additional computational costs as compared with the approximation made so far.
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Stollhoff, G., Heilingbrunner, A. Coupled-cluster-equations for the local ansatz. Z. Physik B - Condensed Matter 83, 85–91 (1991). https://doi.org/10.1007/BF01314401
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DOI: https://doi.org/10.1007/BF01314401