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International Journal of Modern Physics B

PERTURBATION THEORY ABOUT GENERALIZED SELF-CONSISTENT FIELD SOLUTION

Chia‐Wei Yang, ARMEN N. KOCHARIAN, Y. L. Chiang, L. Y. Chen

Published Jun 10, 2005• 1 citation
Publisher

Abstract

A new efficient converging perturbation technique valid for arbitrary interaction strength U/t and electron concentration n is applied to study strongly correlated electrons within the repulsive Hubbard model. We test the new perturbation expansion theory in terms of interacting quasi-particles about generalized self-consistent field (GSCF) solution in an entire parameter space. The developed perturbation formalism for strong interaction and large perturbation region differs from the traditional theory on the vicinity of non-interacting electrons by incorporating systematically fluctuations of quasi-particles around self-consistent solution. Performed analytical calculations of the ground state properties in the extreme conditions of one dimensionality provide quite reasonable numerical agreement with the Bethe-ansatz results in the intermediate range of U/t and n. The results are compared with the predictions of traditional perturbation theory.

DOI
10.1142/s021797920502978x

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A new efficient converging perturbation technique valid for arbitrary interaction strength U/t and electron concentration n is applied to study strongly correlated electrons within the repulsive Hubbard model. We test the new perturbation expansion theory in terms of interacting quasi-particles about generalized self-consistent field (GSCF) solution in an entire parameter space. The developed perturbation formalism for strong interaction and large perturbation region differs from the traditional theory on the vicinity of non-interacting electrons by incorporating systematically fluctuations of quasi-particles around self-consistent solution. Performed analytical calculations of the ground state properties in the extreme conditions of one dimensionality provide quite reasonable numerical agreement with the Bethe-ansatz results in the intermediate range of U/t and n. The results are compared with the predictions of traditional perturbation theory.
The accurate analytical and numerical calculations of the electronic band structure and ground state properties of strongly correlated electrons within the Hubbard model are performed by constructing convergent perturbation theory for general interaction strength and electron concentration. We test the developed perturbation approach about mean field solution in the extreme conditions of one dimensionality for entire parameter space of electron interaction U/t and electron concentration n. The many-body perturbation formalism up two second order about the generalized self-consistent field (GSCF) Hamiltonian goes beyond the range of applicability of standard perturbation theory by incorporating systematically the effect of the random-phase-type perturbation techniques and controlled expansion of the energy functional for general U/t and n. The second order perturbation correction vanishes at small and large U/t limit and performed calculations of the ground state energy show a next to the perfect numerical agreement with the Bethe-ansatz results.
[[abstract]]The accurate analytical and numerical calculations of the electronic band structure and ground state properties of strongly correlated electrons within the Hubbard model are performed by constructing convergent perturbation theory for general interaction strength and electron concentration. We test the developed perturbation approach about mean field solution in the extreme conditions of one dimensionality for entire parameter space of electron interaction U/t and electron concentration n. The many-body perturbation formalism up two second order about the generalized self-consistent field (GSCF) Hamiltonian goes beyond the range of applicability of standard perturbation theory by incorporating systematically the effect of the random-phase-type perturbation techniques and controlled expansion of the energy functional for general U/t and n. The second order perturbation correction vanishes at small and large U/t limit and performed calculations of the ground state energy show a next to the perfect numerical agreement with the Bethe-ansatz results.
The shortcomings and advantages of the generalized self-consistent field (GSCF) approach, which includes the electron–hole order parameter [Formula: see text] and the average spin s within the one-dimensional repulsive Hubbard model, are analyzed by comparison of the ground state properties with the corresponding Bethe ansatz results in an entire parameter space of interaction strength U/t ≥ 0, magnetic field h ≥ 0 and electron concentration 0 ≤ n ≤ 1. The GSCF spectral characteristics are derived and criteria are found for the stability of incommensurate magnetic phase with the wave number 0 < q < π. The GSCF theory displays a simple relationship for the double occupancy D(+) in terms of n, s and [Formula: see text], where D(+) underestimates electron correlations at weak and intermediate ranges and overestimates correlations at large interaction strengths. Beyond some critical U/t and n≠1 the GSCF D(+) for spatially homogeneous state vanishes, while the exact D for all n at h=0 decreases gradually as U/t increases. At n ≠ 1 the GSCF chemical potential μ(+) overestimates electron correlations everywhere and variation μ(+)versusn displays electron instability toward the phase separation in the vicinity of n=1. Exactly at n=1 the GSCF μ(+)versusU/t always underestimates electron correlation and as U/t → ∞ at h=0 we have μ(+) → 0, while the Bethe ansatz result gives μ → 2t. In the limiting cases U/t → 0 and U/t → ∞ for all h ≥ 0 and 0 ≤ n ≤ 1 the GSCF ground state energy is exact, which is necessary for formulation of converging perturbation procedure about mean field solution in the entire parameter space.
The ground-state properties in one-dimensional Hubbard model with on-site attraction and repulsion of electrons in the presence of magnetic field h are calculated by means of the exact Bethe-ansatz formalism and the generalized self-consistent field (GSCF) approach for general electron concentrations n and arbitrary interaction strength. The ground-state properties, including the energy, the average spin (magnetization) and the kinetic energy are compared over a wide range of parameter space. The GSCF theory is in qualitative and in some cases in good quantitative agreement with the exact results. The GSCF theory at U≤0 (or U≥0) differentiates the spin (or charge) energy gap from the BCS (or antiferromagnetic) order parameter and suggests a smooth crossover from the phase with the itinerant BCS-like behavior to the Bose condensation regime of the local pairs.
In a large variety of systems, like the high‐temperature superconductors, the dominant parameter of the system is the on‐site Coulomb repulsion that becomes comparable with the kinetic energy in the vicinity of the metal‐insulator transition. This implies that perturbation expansions must include this interaction in the zeroth order Hamiltonian and treat the hopping term as a perturbation. Thus, one gets a situation radically different from the usual one in which the particles are initially free and needs to develop a nonstandard perturbation theory based on a cumulant expansion. In this paper, we revisit the general formalism of the cumulant expansion approach for the single band and two‐band Hubbard model, being interested in introducing a systematic way to perform approximations which take into account cooperative phenomena. As an example we analyze the effect of the charge fluctuations on the single‐particle spectral properties.