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arXiv:cond-mat/0206196

Many-Body Density Matrices for Free Fermions

Siew Ann Cheong, Christopher L. Henley

Published Jun 12, 2002• 1 citation
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Abstract

Building upon an analytical technique introduced by Chung and Peschel [M. Chung and I. Peschel, Phys. Rev. B 64, art. 064412 (2001)], we calculated the density matrix rho_B of a finite block of B sites within an infinite system of free spinless fermions. In terms of the block Green function matrix G (whose elements are G_ij = < c_i^+ c_j>, where c_i^+ and c_j are fermion creation and annihilation operators acting on sites i and j within the block respectively), the density matrix can be written as rho_B = det(1 - G) exp[ sum_ij (log G(1 - G^{-1})_ij c_i^+ c_j]. Implications of such a result to Hilbert space truncation for real-space renormalization schemes is discussed.

DOI
10.48550/arxiv.cond-mat/0206196

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Building upon an analytical technique introduced by Chung and Peschel [M. Chung and I. Peschel, Phys. Rev. B 64, art. 064412 (2001)], we calculated the density matrix rho_B of a finite block of B sites within an infinite system of free spinless fermions. In terms of the block Green function matrix G (whose elements are G_ij = < c_i^+ c_j>, where c_i^+ and c_j are fermion creation and annihilation operators acting on sites i and j within the block respectively), the density matrix can be written as rho_B = det(1 - G) exp[ sum_ij (log G(1 - G^{-1})_ij c_i^+ c_j]. Implications of such a result to Hilbert space truncation for real-space renormalization schemes is discussed.
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In an earlier work [S. A. Cheong and C. L. Henley, preceding paper], we derived an exact formula for the many-body density matrix ${\ensuremath{\rho}}_{B}$ of a block of B sites cut out from an infinite chain of noninteracting spinless fermions, and found that the many-particle eigenvalues and eigenstates of ${\ensuremath{\rho}}_{B}$ can all be constructed out of the one-particle eigenvalues and one-particle eigenstates, respectively. In this paper we improved upon this understanding, and developed a statistical-mechanical analogy between the density-matrix eigenstates and the many-body states of a system of noninteracting fermions. Each density-matrix eigenstate corresponds to a particular set of occupation of single-particle pseudoenergy levels, and the density-matrix eigenstate with the largest weight, having the structure of a Fermi sea ground state, unambiguously defines a pseudo-Fermi level. Based on this analogy, we outlined the main ideas behind an operator-based truncation of the density-matrix eigenstates, where single-particle pseudoenergy levels far away from the pseudo-Fermi level are removed as degrees of freedom. We report numerical evidence for scaling behaviors in the single-particle pseudoenergy spectrum for different block sizes B and different filling fractions $\mathrm{n\ifmmode \bar{}\else \={}\fi{}}.$ With the aid of these scaling relations, which tell us that the block size B plays the role of an inverse temperature in the statistical-mechanical description of the density-matrix eigenstates and eigenvalues, we looked into the performance of our operator-based truncation scheme in minimizing the discarded density-matrix weight and the error in calculating the dispersion relation for elementary excitations. This performance was compared against that of the traditional density-matrix-based truncation scheme, as well as against an operator-based plane-wave truncation scheme, and found to be very satisfactory.
The reduced density matrix of an interacting system can be used as the basis for a truncation scheme, or in an unbiased method to discover the strongest kind of correlation in the ground state. In this paper, we investigate the structure of the many-body fermion density matrix of a small cluster in a square lattice. The cluster density matrix is evaluated numerically over a set of finite systems, subject to nonsquare periodic boundary conditions given by the lattice vectors ${\mathbf{R}}_{1}\ensuremath{\equiv}({R}_{1x},{R}_{1y})$ and ${\mathbf{R}}_{2}\ensuremath{\equiv}({R}_{2x},{R}_{2y})$. We then approximate the infinite-system cluster density-matrix spectrum by averaging the finite-system cluster density matrix (i) over degeneracies in the ground state, and orientations of the system relative to the cluster, to ensure it has the proper point-group symmetry; and (ii) over various twist boundary conditions to reduce finite size effects. We then compare the eigenvalue structure of the averaged cluster density matrix for noninteracting and strongly interacting spinless fermions, as a function of the filling fraction n‾\overline{n}n, and discuss whether it can be approximated as being built up from a truncated set of single-particle operators.
The Holstein model of spinless fermions interacting with dispersionless phonons in one dimension is studied by a Green's function Monte Carlo technique. The ground-state energy, first fermionic excited state, density wave correlations, and mean lattice displacements are calculated for lattices of up to 16 sites, for one fermion per two sites, i.e., a half-filled band. Results are obtained for values of the fermion hopping parameter of t=0.1\ensuremath{\omega}, \ensuremath{\omega}, and 10\ensuremath{\omega}, where \ensuremath{\omega} is the phonon frequency. At a finite fermion-phonon coupling g there is a transition from a metallic phase to an insulating phase in which there is charge-density-wave order. Finite-size scaling is found to hold in the metallic phase and is used to extract the coupling dependence of the Luttinger liquid parameters, ${\mathit{u}}_{\mathrm{\ensuremath{\rho}}}$ and ${\mathit{K}}_{\mathrm{\ensuremath{\rho}}}$, the velocity of charge excitations, and the correlation exponent, respectively. For free fermions (g=0) and for strong coupling (g2{\mathit{g}}^{2}g2\ensuremath{\gg}t\ensuremath{\omega}) our results agree well with known analytic results. \textcopyright{} 1996 The American Physical Society.
We formulate correlation functions for a one-dimensional interacting spinless fermion model at finite temperature. By combination of a lattice path integral formulation for thermodynamics with the algebraic Bethe ansatz for fermion systems, the equal-time oneparticle Green’s function at arbitrary particle density is expressed as a multiple integral form. Our formula reproduces previously known results in the following three limits: the zero-temperature, the infinite-temperature and the free fermion limits. PACS numbers: 05.30.-d, 71.10.Fd, 02.30.Ik 1
We provide a description of interacting quantum fields in terms of density matrices for any occupation numbers in Fock space in a momentum basis. As a simple example, we focus on a real scalar field interacting with another real scalar field, and present a practicable formalism for directly computing the density matrix elements of the combined scalar–scalar system. For deriving the main formula, we use techniques from non-equilibrium quantum field theory like thermo-field dynamics and the Schwinger–Keldysh formalism. Our results allow for studies of particle creation/annihilation processes at finite times and other non-equilibrium processes, including those found in the theory of open quantum systems.