Density-functional theory of one-electron propagators

Valiev, Marat; Fernando, Gayanath

doi:10.1016/s0375-9601(97)00055-8

Cited by 34 publications

(95 citation statements)

References 13 publications

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“…One could ask whether the single-particle levels in some representation are "better" than in other representations. In particular, they can be compared to the energy spectrum corresponding to the poles of the exact Green's function, which can be constructed in terms of the Kohn-Sham Green's function [48,55]. If this construction is carried out in the present approximations for both the ρ-only and the ρτ formalisms, the ρτ single-particle spectrum is obtained in both cases [55].…”

Section: Numerical Resultsmentioning

confidence: 99%

“…To carry out the inversion and Legendre transformation, we apply the inversion method of Fukuda et al [38,39,41,47,48,49]. This method applies to any system that can be characterized by a hierarchy, which we organize by introducing a parameter λ that is ultimately set to unity.…”

Section: A Effective Action and The Inversion Methodsmentioning

confidence: 99%

“…The Legendre transformation defining Γ follows 2 In Ref. [41], a proof is given of the invertibility of the Legendre transformation for the Euclidean version of the functions. The proof extends directly to our Minkowski functions with any number of sources, as long as they are coupled linearly.…”

Section: A Effective Action and The Inversion Methodsmentioning

confidence: 99%

“…All higher orders in Γ[ρ, τ, λ] are determined in a similar manner, as described in Refs. [33,41]. In order to solve for the orbitals in Eq.…”

Section: A Effective Action and The Inversion Methodsmentioning

confidence: 99%

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The kinetic energy density in Kohn–Sham density functional theory

Bhattacharyya¹,

Furnstahl²

2005

Nuclear Physics A

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This work continues a program to systematically generalize the Skyrme Hartree-Fock method for medium and heavy nuclei by applying effective field theory (EFT) methods to Kohn-Sham density functional theory (DFT). When conventional Kohn-Sham DFT for Coulomb systems is extended beyond the local density approximation, the kinetic energy density τ is sometimes included in energy functionals in addition to the fermion density. However, a local (semi-classical) expansion of τ is used to write the energy as a functional of the density alone, in contrast to the Skyrme approach. The difference is manifested in different single-particle equations, which in the Skyrme case include a spatially varying effective mass. Here we show how to generalize the EFT framework for DFT derived previously to reconcile these approaches. A dilute gas of fermions with short-range interactions confined by an external potential serves as a model system for comparisons and for testing power-counting estimates of new contributions to the energy functional.

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Section: Numerical Resultsmentioning

confidence: 99%

Section: A Effective Action and The Inversion Methodsmentioning

confidence: 99%

Section: A Effective Action and The Inversion Methodsmentioning

confidence: 99%

“…All higher orders in Γ[ρ, τ, λ] are determined in a similar manner, as described in Refs. [33,41]. In order to solve for the orbitals in Eq.…”

Section: A Effective Action and The Inversion Methodsmentioning

confidence: 99%

See 2 more Smart Citations

The kinetic energy density in Kohn–Sham density functional theory

Bhattacharyya¹,

Furnstahl²

2005

Nuclear Physics A

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“…This section borrows from the work of Fukuda et al [57,46] and of Valiev and Fernando [58]. For a recent pedagogical review emphasizing this point of view, see [59].…”

Section: Density Functional Theorymentioning

confidence: 99%

Strongly Correlated Electron Materials: Dynamical Mean-Field Theory and Electronic Structure

Georges¹

2004

AIP Conference Proceedings

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Abstract. These are introductory lectures to some aspects of the physics of strongly correlated electron systems. I first explain the main reasons for strong correlations in several classes of materials. The basic principles of dynamical mean-field theory (DMFT) are then briefly reviewed. I emphasize the formal analogies with classical mean-field theory and density functional theory, through the construction of free-energy functionals of a local observable. I review the application of DMFT to the Mott transition, and compare to recent spectroscopy and transport experiments. The key role of the quasiparticle coherence scale, and of transfers of spectral weight between low-and intermediate or high energies is emphasized. Above this scale, correlated metals enter an incoherent regime with unusual transport properties. The recent combinations of DMFT with electronic structure methods are also discussed, and illustrated by some applications to transition metal oxides and f-electron materials.

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Spectral Density Functional Approach to Electronic Correlations and Magnetism in Crystals

Lichtenstein

Katsnelson

Kotliar

2002

Electron Correlations and Materials Properties 2

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A novel approach to electronic correlations and magnetism of crystals based on realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the "local density approximation" (LDA) and the dynamical mean field theory (DMFT) approaches. Using numerically exact QMC solution to the effective DMFT multi-orbital quantum-impurity problem, a successful description of electronic structure and finite temperature magnetism of transition metals has been achieved. We discuss a simplified perturbation LDA+DMFT scheme which combines the T-matrix and fluctuation-exchange approximation (TM-FLEX). We end with a discussion of cluster generalization of the non-local DMFT scheme and its applications to the magnetism and superconductivity of high-Tc superconductors.

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Density-functional theory of one-electron propagators

Cited by 34 publications

References 13 publications

The kinetic energy density in Kohn–Sham density functional theory

The kinetic energy density in Kohn–Sham density functional theory

Strongly Correlated Electron Materials: Dynamical Mean-Field Theory and Electronic Structure

Spectral Density Functional Approach to Electronic Correlations and Magnetism in Crystals

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