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arXiv:cond-mat/0101428

Exact expression of the ground state energy of quantum many-particle systems as a functional of the particle density

Yu-Liang Liu

Published Jan 29, 2001• 1 citation
arXivHTMLPDF

Abstract

By introducing a phase field and solving the eigen-functional equation of particles, we obtain the exact expressions of the ground state energy as a functional of the particle density for interacting electron/boson systems, and a two-dimensional electron gas under an external magnetic field, respectively. With the eigen-functionals of the particles, we can construct the ground state wave-function of the systems. Moreover, with the expressions of the ground state energy, we can exactly determine the ground state energy and the ground state particle density of the systems by taking $% δE_g[ρ]/δρ(x)=0$.

DOI
10.48550/arxiv.cond-mat/0101428

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By introducing a phase field and solving the eigen-functional equation of particles, we obtain the exact expressions of the ground state energy as a functional of the particle density for interacting electron/boson systems, and a two-dimensional electron gas under an external magnetic field, respectively. With the eigen-functionals of the particles, we can construct the ground state wave-function of the systems. Moreover, with the expressions of the ground state energy, we can exactly determine the ground state energy and the ground state particle density of the systems by taking % δE_g[ρ]/δρ(x)=0.
Using eigen-functional bosonization method, we study quantum many-particle systems, and show that the quantum many-particle problems end in to solve the differential equation of the phase fields which represent the particle correlation strength. Thus, the physical properties of these systems are completely determined by the differential equation of the phase fields. We mainly focus on the study of D-dimensional electron gas with/without transverse gauge fields, two-dimensional electron gas under an external magnetic field, D-dimensional boson systems, a D-dimensional Heisenberg model and a one-band Hubbard model on a square lattice, and give their exact (accurate for Heisenberg model) functional expressions of the ground state energy and action, and the eigen-functional wave functions of the fermions/bosons. With them, we can calculate a variety of correlation functions of the systems, such as single particle Green's functions and their ground state wave functions. In present theoretical framework, we can unifiably represent the Landau Fermi liquid, non-Fermi liquid (D≥2D\geq 2D≥2) and Tomonaga-Luttinger liquid.
Based on the Schrodinger equation, exact expressions for the non-relativistic particle energy in the local external field and the external field potential are derived as inhomogeneous density functionals. On this basis, it is shown that, when considering more than two noninteracting electrons, the energy of such a system cannot be an inhomogeneous density functional. The result is extended for the system of interacting electrons. This means that the Hohenberg-Kohn lemma which assert that in the ground state to each inhomogeneous density corresponds only one potential of the external field cannot be a justification of the existence of the universal density functional in the general case. At the same time, statements of the density functional theory remain valid when considering any number of noninteracting ground-state bosons due to the Bose condensation effect.
With the eigenfunctional theory, we study a general interacting electron system, and give a rigorous expression of its ground state energy, which is composed of two parts: one part is contributed by the non-interacting electrons, and the other one is represented by the correlation functions that are controlled by the electron correlation. Moreover, according to the rigorous expression of the ground state energy, an effective scheme beyond the local density approximation of the density functional theory is proposed. As a simple example for a spin-1/2 XXZ chain, under the linear approximation in solving the equation of the phase field, the ground state energy obtained by the present scheme is quite close to that of the Bethe ansatz.
Based on the Schrodinger equation, exact expressions for the non-relativistic particle energy in the local external field and the external field potential are derived as inhomogeneous density functionals. On this basis, it is shown that, when considering more than two noninteracting electrons, the energy of such a system cannot be an inhomogeneous density functional. This means that the Hohenberg-Kohn lemma which assert that in the ground state to each inhomogeneous density corresponds only one potential of the external field cannot be a justification of the existence of the universal density functional in the general case. At the same time, statements of the density functional theory remain valid when considering any number of noninteracting ground-state bosons due to the Bose condensation effect.
In the eigen-functional theoretical framework, exact/accurate treatment of high-dimensional strongly correlated electron systems may be realized. The two key steps of this method are that under the path integral formulation we first change a D-dimensional quantum many-particle system into an (D+1)-dimensional (time-dependent) effective "single-particle" problem, then by solving the eigen-equation of the propagator operator of the particles, we can obtain the ground state energy functional and action, respectively. Under the eigen-functional theory, the problems of quantum many-particle systems end in to solve the equation of phase fields that are completely determined by the electron interaction. In practice this equation of the phase fields can be numerically solved for large lattice sites. After replacing the real time by the imaginary time, this method can also be applied for finite temperature cases.
In a previous paper a trial wave function of the form ψ = D II i<i f ( x ij ) was used variationally to calculate the ground-state energy of an interacting electron gas, D being a determinant of plane waves and f ( x ij ) a correlation function. In this work attention is focused on the nature of the wave function; in particular, the correlation function f ( x ij ) and the pair distribution function are calculated and numerical results are presented for two widely different densities. In the course of this work, further light is thrown on the approximations made in the earlier energy calculations. Finally, the use of a wave function of the type ψ = II i<j f ( x ij ) in the calculation of the ground-state energy of a system of charged bosons is discussed and the exact high-density result of Foldy obtained.