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Chinese Physics Letters

New Method to Deal with Three-Dimensional Electron Gas with a Strong Correlation Effect

Zhi‐Ming Yu, Qian Guo, Yu-Liang Liu

Published Dec 1, 2012• 1 citation
Publisher

Abstract

Similar to the bosonization method in one dimension, we divide the electron operators in phase space into two component operators, and study three-dimensional homogeneous electron gas with a strong correlation effect. We apply this method to calculate the pair distribution function g(r = 0, r s ) and the renormalization coefficient of the one-electron Green's function Z(k F ) (Z F ), and show that it has great advantages of succinctness and efficiency for studying one- and three-dimensional systems with a strong correlation effect. This method can be applied to investigate interaction quenches in ultracold atomic gases.

DOI
10.1088/0256-307x/29/12/127101

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Similar to the bosonization method in one dimension, we divide the electron operators in phase space into two component operators, and study three-dimensional homogeneous electron gas with a strong correlation effect. We apply this method to calculate the pair distribution function g(r = 0, r s ) and the renormalization coefficient of the one-electron Green's function Z(k F ) (Z F ), and show that it has great advantages of succinctness and efficiency for studying one- and three-dimensional systems with a strong correlation effect. This method can be applied to investigate interaction quenches in ultracold atomic gases.
The phase field, which originates from the electronic interaction, plays an important role in describing a strongly correlated system in one dimension. However, in higher dimensions the effect of phase field cannot be obviously understood. With the eigenfunctional theory, we calculate the pair distribution function of the three-dimensional electron gas to study the relationship between the phase field and the electronic correlation effect and show that at zero temperature the correlation effect of the electrons is mainly dominated by the phase fluctuation, which is produced by the electronic interaction. We also discuss the failure of random phase approximation in studying the correlation function when the correlation effect is strong in the view of the phase field.
Large strongly correlated systems provide a challenge to modern electronic structure methods, because standard density functionals usually fail and traditional quantum chemical approaches are too demanding. The density-matrix renormalization group method, an extremely powerful tool for solving such systems, has recently been extended to handle long-range interactions on real-space grids, but is most efficient in one dimension where it can provide essentially arbitrary accuracy. Such 1d systems therefore provide a theoretical laboratory for studying strong correlation and developing density functional approximations to handle strong correlation, if they mimic three-dimensional reality sufficiently closely. We demonstrate that this is the case, and provide reference data for exact and standard approximate methods, for future use in this area.
In this thesis, cold gases as well as the electron gas are analyzed with two expansion techniques that have, in essence, the same aim: To describe parameter regimes where the few-body aspect dominates over the collective many-body behavior.The Operator Product Expansion (OPE) of quantum field theory is used to extract high-frequency properties of the correlation function that determines the radio-frequency (RF) response of a two-dimensional Fermi gas with zero-range interactions.Exact sum rules that relate the zeroth and first moment of the radio-frequency spectrum to the particle number and the contact of the gas, are derived from these properties.A quantum cluster (virial-) expansion is employed to study the properties of the spectral function of the two-dimensional Fermi gas at small to moderate degeneracy.From the spectral function, observables like the density of states and the momentum distribution are calculated and are found to be in excellent agreement with Tan's universal relations.In the second part of the thesis, the cluster expansion is applied to both bosonic and fermionic three-dimensional quantum gases.Virial coefficients, contacts and momentum distribution are calculated up to third order in the fugacity.This includes three-particle correlations exactly.The results are are in excellent agreement with known universal relations.In the third part of this thesis, an OPE is applied to the problem of the interacting electron gas in both two and three dimensions.A power-law decay of the momentum distribution and the static structure factor at high momenta is found, compatible with earlier findings by J. Kimball.
Understanding the effect of correlations in interacting many-body systems is one of the main challenges in quantum mechanics. While the general problem can only be addressed by approximate methods and numerical simulations, in some limiting cases, it is amenable to exact solutions. I will present a family of exact solutions for strongly interacting 1D quantum gases in arbitrary external potential, valid for bosons, multicomponent fermions and mixtures. It allows us to obtain experimental observables such as the density profiles and momentum distribution at all momentum scales, beyond the Luttinger liquid approach. It also predicts the exact quantum dynamics at all the times, including the small oscillation regime yielding the collective modes of the system and the large quench regime where the system parameters are changed considerably. The solution can be extended to describe finite-temperature conditions, spin, and magnetization effects. In particular I will present large-size calculations of the frequency- and momentum-resolved spectral function of strongly repulsive lattice bosons and a symmetry-breaking exact solution for a Bose-Bose mixture. Our approach directly describes the experiments with trapped ultracold atoms where the strongly correlated regime in one dimension has been achieved.
A strong-coupling expansion for the Green's functions, self-energies, and correlation functions of the Bose-Hubbard model is developed. We illustrate the general formalism, which includes all possible (normal-phase) inhomogeneous effects in the formalism, such as disorder or a trap potential, as well as effects of thermal excitations. The expansion is then employed to calculate the momentum distribution of the bosons in the Mott phase for an infinite homogeneous periodic system at zero temperature through third order in the hopping. By using scaling theory for the critical behavior at zero momentum and at the critical value of the hopping for the Mott insulator--to--superfluid transition along with a generalization of the random-phase-approximation-like form for the momentum distribution, we are able to extrapolate the series to infinite order and produce very accurate quantitative results for the momentum distribution in a simple functional form for one, two, and three dimensions. The accuracy is better in higher dimensions and is on the order of a few percent relative error everywhere except close to the critical value of the hopping divided by the on-site repulsion. In addition, we find simple phenomenological expressions for the Mott-phase lobes in two and three dimensions which are much more accurate than the truncated strong-coupling expansions and any other analytic approximation we are aware of. The strong-coupling expansions and scaling-theory results are benchmarked against numerically exact quantum Monte Carlo simulations in two and three dimensions and against density-matrix renormalization-group calculations in one dimension. These analytic expressions will be useful for quick comparison of experimental results to theory and in many cases can bypass the need for expensive numerical simulations.
In this paper, we present the rigorous expression of the ground state energy and study the phase transition of the three-dimensional homogeneous electron gas by the eigenfunctional theory. The ground state energy is decided completely by the pair distribution function $ g(r)$, which is, by definition, strictly a positive function. But when the density decreases, the electronic correction effect becomes strong from weak, the previous theories basing on one-particle approximation, such as: RPA, Hubbard and STLS ,\cite{4,9} can't insure g(r)g(r)g(r) positive always, which implies that they are becoming invalid and overestimate the ground state energy. The eigenfunctional theory has a significant improvement over them, under the linear approximation in solving the equation of the phase field, the g(r)g(r)g(r) obtained by the eigenfunctional theory is always positive and can well satisfy the normalization integral (n0∫d3r[g(r)−1]=−1n_{0}\int d^3r[g(r)-1]=-1n0​∫d3r[g(r)−1]=−1) which is one of the important features of g(r)g(r)g(r). After obtaining g(r)g(r)g(r) and calculating the ground state energy of the electron gas both in paramagnetic and ferromagnetic by g(r)g(r)g(r), we observe a continuous phase transition from paramagnetic to the ferromagnetic occurring at rs=19.9±0.8r_s=19.9\pm0.8rs​=19.9±0.8. This can be indirectly supported by the observation of a ferromagnetic state in doped hexaboride (Ca1−xLaxBb)(Ca_{1-x}La_xB_b)(Ca1−x​Lax​Bb​),\cite{42} and is close to the result of G.Ortiz et.al (rs=20±5r_s=20\pm5rs​=20±5).\cite{12}