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NATO ASI series. Series B : Physics

Density Functional Calculations for Strongly Correlated Systems

O. Gunnarsson, O. K. Andersen, A. Svane

Published Jan 1, 1989• 0 citations
Publisher
DOI
10.1007/978-1-4613-0565-1_17

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A new approach for calculating spectral density functions of strongly correlated electron systems is proposed within the exact diagonalization method of dynamical mean-field theory (DMFT). This approach is based on the analytic continuation of spectral density function obtained by conventional exact diagonalization method of DMFT and its results are more reasonable in shape. As an example of its application, the Mott transition in a strongly correlated electron system is investigated using this new approach.
We consider the dynamic charge susceptibility and the charge density waves in strongly-correlated electronic systems within the two-dimensional t-J-V model. Using the equation of motion method for the relaxation functions in terms of the Hubbard operators, we calculate the static susceptibility and the spectrum of charge fluctuations as functions of doped hole concentrations and temperature. Charge density waves emerge for a sufficiently strong intersite Coulomb interaction. Calculation of the dynamic charge susceptibility reveals a strong damping of charge density waves for a small hole doping and propagating high-energy charge excitations at large doping.
We introduce a density functional formalism to study the ground-state properties of strongly correlated dipolar and ionic ultracold bosonic and fermionic gases, based on the self-consistent combination of the weak and the strong coupling limits. Contrary to conventional density functional approaches, our formalism does not require a previous calculation of the interacting homogeneous gas, and it is thus very suitable to treat systems with tunable long-range interactions. Because of its asymptotic exactness in the regime of strong correlation, the formalism works for systems in which standard mean-field theories fail.