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Chemistry LibreTexts

19: Multi-Determinant Wavefunctions

  • Page ID
    60576
  • Corrections to the mean-field model are needed to describe the instantaneous Coulombic interactions among the electrons. This is achieved by including more than one Slater determinant in the wavefunction.

    Thumbnail: Schematic representation of the cluster-expansion-based classification. The full correlation is composed of singlets, doublets, triplets, and higher-order correlations, all uniquely defined by the cluster-expansion approach. Each blue sphere corresponds to one particle operator and yellow circles/ellipses to correlations. The number of spheres within a correlation identifies the cluster number. Image used with permission (CC SA-BY-3.0; Christoph N. Böttge, "Phonon-assistierte Lasertätigkeit in Mikroresonatoren").

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