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Cluster (physics)
About: Cluster (physics) is a research topic. Over the lifetime, 27759 publications have been published within this topic receiving 664003 citations.
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TL;DR: The quantum cluster theory as discussed by the authors is a set of approximations for infinite lattice models which treat correlations within the cluster explicitly, and correlations at longer length scales either perturbatively or within a mean-field approximation.
Abstract: This article reviews quantum cluster theories, a set of approximations for infinite lattice models which treat correlations within the cluster explicitly, and correlations at longer length scales either perturbatively or within a mean-field approximation. These methods become exact when the cluster size diverges, and most recover the corresponding mean-field approximation when the cluster size becomes 1. Although quantum cluster theories were originally developed to treat disordered systems, they have more recently been applied to the study of ordered and disordered correlated systems, which will be the focus of this review. After a brief historical review, the authors provide detailed derivations of three cluster formalisms: the cluster perturbation theory, the dynamical cluster approximation, and the cellular dynamical mean-field theory. They compare their advantages and review their applications to common models of correlated electron systems.
955 citations
946 citations
TL;DR: In this article, the SCC-DV-Xα molecular orbital method was applied to metal clusters and the numerical basis functions were utilized in the present calculations, and it was proved that the self-consistent charge (SCC) approximation to the SCF method gives accurate orbital energies.
Abstract: Applications of the discrete variational (DV) Xα molecular orbital method based on the self-consistent Hartree-Fock-Slater model to metal clusters are presented. Numerical basis functions are utilized in the present calculations. Variations of orbital energies and populations with exchange scaling parameter α are investigated. It is proved that the self-consistent-charge (SCC) approximation to the SCF method gives accurate orbital energies. The numerical basis SCC-DV-Xα method is shown to be very efficient for studies of rather large metal clusters such as Ni 13 .
877 citations