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arXiv:cond-mat/0301137 · The European Physical Journal B

Self-energy-functional approach to systems of correlated electrons

Michael Potthoff

Published Apr 1, 2003• 336 citations
arXivHTMLPDF
DOI
10.1140/epjb/e2003-00121-8

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The one-particle Green function of a many-electron system is traditionally formulated within the self-energy picture. A different formalism was recently proposed, in which the self-energy is replaced by a dynamical exchange-correlation field, which acts on the Green function locally in both space and time. It was found that there exists a fundamental quantity, referred to as the dynamical exchange-correlation hole, which can be interpreted as effective density fluctuations induced in a many-electron system when a hole or an electron is introduced into the system, as in photoemission and inverse photoemission experiments. The dynamical exchange-correlation potential is simply the Coulomb potential of this exchange-correlation hole, which fulfils a sum rule and an exact constraint, identical to those satisfied by the static exchange-correlation hole in density-functional theory. The proposed formalism has been applied to a number of model systems such as the half-filled one-dimensional Hubbard model, the one-dimensional antiferromagnetic Heisenberg model, and the single-impurity Anderson model. The dynamical exchange-correlation hole and field of the homogeneous electron gas have also been studied with the view of constructing a density-functional approximation such as the local-density approximation. The availability of simple but accurate approximations for the exchange-correlation potential would circumvent costly computations of the traditional self-energy. The formalism may also provide new perspectives and insights into the many-body problem.
The equation of motion of the Green's function of a many-electron system is shown to be governed by a multiplicative exchange-correlation potential, in contrast to the self-energy. Crucially, this exchange-correlation potential is simply the Coulomb potential of an exchange-correlation hole and fulfills a sum rule. The formulation offers a simple physical interpretation for the propagation of an added electron or hole and may provide a route for density-functional-like approximations for calculating the Green's function.
We propose a new approach to the self-consistency equation, which arises in the problem of the motion of a hole in a quantum antiferromagnet, appropriate to the case of small exchange energy JJJ. The functional equation for the Green function is transformed into a differential equation; its solutions are analyzed and compared to the existing numerical calculations. This method allows one to study the limit of J→0J\to 0J→0. Application to other strongly correlated electron systems is discussed.