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arXiv:cond-mat/0703526 · Physical Review A

Local-density-functional theory for superfluid fermionic systems: The unitary gas

Aurel Bulgac

Published Oct 18, 2007• 142 citations
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Abstract

The first detailed comparison between ab initio calculations of finite fermionic superfluid systems, performed recently by Chang and Bertsch [Phys. Rev. A 76, 021603(R) (2007)] and by von Stecher, Grange, and Blume [e-print arXiv:0705.0671v1] and the extension of the density-functional theory superfluid local-density approximation (SLDA) is presented. It is shown that SLDA reproduces the total energies, number density distributions in inhomogeneous systems along with the energy of the normal state in homogeneous systems. Unlike the Kohn-Sham LDA, in SLDA the effective fermion mass differs from the bare fermion mass and the spectrum of elementary excitations is also reproduced.

DOI
10.1103/physreva.76.040502

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The first detailed comparison between ab initio calculations of finite fermionic superfluid systems, performed recently by Chang and Bertsch [Phys. Rev. A 76, 021603(R) (2007)] and by von Stecher, Grange, and Blume [e-print arXiv:0705.0671v1] and the extension of the density-functional theory superfluid local-density approximation (SLDA) is presented. It is shown that SLDA reproduces the total energies, number density distributions in inhomogeneous systems along with the energy of the normal state in homogeneous systems. Unlike the Kohn-Sham LDA, in SLDA the effective fermion mass differs from the bare fermion mass and the spectrum of elementary excitations is also reproduced.
The time-dependent superfluid local density approximation (TDSLDA) is an extension of the Hohenberg-Kohn density functional theory (DFT) to time-dependent phenomena in superfluid fermionic systems. Unlike linear response theory, which is only valid for weak external fields, the (TDSLDA) approach allows one to study non-linear excitations in fermionic superfluids, including large amplitude collective modes, and the response to strong external probes. Even in the case of weak external fields, the (TDSLDA) approach is technically easier to implement. We will illustrate the implementation of the (TDSLDA) for the unitary Fermi gas, where dimensional arguments and Galilean invariance simplify the form of the functional, and ab initio input from (QMC) simulations fix the coefficients to quite high precision.
In the unitary regime, fermions interact strongly via two-body potentials that exhibit a zero range and a (negative) infinite scattering length. The energy density is proportional to the energy density of the free Fermi gas with a proportionality constant $\ensuremath{\xi}$. The author uses a simple density functional parametrized by an effective mass and the universal constant $\ensuremath{\xi}$, and employs Kohn-Sham density-functional theory to obtain the parameters from fit to one exactly solvable two-body problem. This yields $\ensuremath{\xi}=0.42$ and a rather large effective mass. The form of the density functional is checked by similar Kohn-Sham calculations for the exactly solvable Calogero model.
Over the past two decades, many studies in the density functional theory context revealed new aspects and properties of strongly correlated superfluid quantum systems in numerous configurations that can be simulated in experiments. This was made possible by the generalization of the local density approximation to superfluid systems by Bulgac [Phys. Rev. C 65, 051305(R) (2002); Phys. Rev. A 76, 040502(R) (2007)]. In the present work, we propose an extension of the superfluid local density approximation, systematically improvable and applicable to a large range of many-body quantum problems getting rid of the fitting procedures of the functional parameters. It turns out that only the knowledge of the density dependence of the quasiparticle properties, namely, the chemical potential, the effective mass, and the pairing gap function, are enough to obtain an explicit and accurate local functional of the densities without any adjustment a posteriori. This opens the way toward an effective field theory formulation of the density functional theory in the sense that we obtain a universal expansion of the functional parameters entering in the theory as a series in pairing gap function. Finally, we discuss possible applications of the developed approach allowing precise analysis of experimental observations. In that context, we focus our applications on the static structure properties of superfluid vortices.
By shifting the reference system for the local-density approximation (LDA) from the electron gas to other model systems, one obtains a new class of density functionals, which by design account for the correlations present in the chosen reference system. This strategy is illustrated by constructing an explicit LDA for the one-dimensional Hubbard model. While the traditional ab initio LDA is based on a Fermi liquid (the three-dimensional interacting electron gas), this one is based on a Luttinger liquid. First applications to inhomogeneous Hubbard models, including one containing a localized impurity, are reported.
The density functional theory originally developed by Hohenberg, Kohn, and Sham provides a rigorous conceptual framework for dealing with inhomogeneous interacting Fermi systems. We extend this approach to deal with inhomogeneous interacting Bose-condensed systems, limiting this presentation to setting up the formalism to deal with ground-state (T = 0) properties. The key new feature is that one must deal with energy functionals of both the local density n(r) and the local complex macroscopic wave function Φ(r) associated with the Bose broken-symmetry (the local condensate density is [Formula: see text]. Implementing the Kohn–Sham scheme, we reduce the problem to a gas of weakly interacting Bosons moving in self-consistent diagonal and off-diagonal one-body potentials. Our formalism should provide the basis for studies of the surface properties of liquid 4He as well as the properties of Bose-condensed atomic gases trapped in external potentials.
Most of the basic ideas of the density-functional theory (DFT) are shown to be unrelated to the fact that the particle density is used as the basic variable. After presenting the general formalism and a simple example unrelated to densities, we discuss various approaches to density-functional theory on a lattice. One has proven useful for the understanding of various fundamental issues of the DFT. The exact Kohn-Sham band gap and the band gap in the local-density approximation (LDA) are compared to the exact results for a one-dimensional model. As the interacting homogeneous system can be solved exactly no further approximation is needed to formulate the LDA.