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

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

2007-07-24

arxiv.org/abs/0707.3523v1

Physics

Condensed Matter

Strongly Correlated Electrons

Revtex, 4 pages, 2 eps-figures

Scientific paper

10.1103/PhysRevB.76.241103

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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