From cluster to solid - the variational cluster approximation applied to NiO

R. Eder

doi:10.1103/physrevb.76.241103

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arXiv · 0707.3523

From cluster to solid - the variational cluster approximation applied to NiO

R. Eder

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Abstract

The variational cluster approximation is applied to the calculation of the single particle spectral function of NiO. Trial self energies and the numerical value of the Luttinger-Ward functional are obtained by exact diagonalization of NiO6-clusters and the single particle parameters of the clusters serve as variational parameters to obtain a stationary point of the grand potential of the lattice system. Good agreement with experiment is obtained.

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R. Eder. 2007-07-24. From cluster to solid - the variational cluster approximation applied to NiO. https://doi.org/10.1103/physrevb.76.241103

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