Abstract
When dealing with electronic correlations, the latter are often treated without considering changes in the one-particle density. This is a good approximation in systems in which electronic correlations are sufficiently weak, but it is not justified any longer when they become strong. The treatment of electronic correlations within the local ansatz is generalized by the inclusion of one-particle operators. Nonorthogonalized local operators are used for their description. The generalized scheme allows also for an improvement of self-consistent field calculations by including the effects of a larger basis set via one-particle operators.
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Mei, C., Stollhoff, G. & Fulde, P. Electronic correlations with inclusion of one-particle operators. Z. Physik B - Condensed Matter 89, 63–69 (1992). https://doi.org/10.1007/BF01320830
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DOI: https://doi.org/10.1007/BF01320830