Operator-Based Truncation Scheme Based on the Many-Body Fermion Density Matrix

TL;DR

This paper introduces an operator-based truncation scheme for the many-body density matrix of noninteracting fermions, utilizing a statistical-mechanical analogy and scaling behaviors to improve computational efficiency and accuracy.

Contribution

It develops a novel operator-based truncation method based on pseudo-energy levels, outperforming traditional schemes in minimizing errors for fermionic systems.

Findings

Scaling relations link block size to an effective temperature.

Operator-based truncation reduces discarded weight effectively.

Method outperforms traditional density matrix truncation schemes.

Abstract

In [S. A. Cheong and C. L. Henley, cond-mat/0206196 (2002)], we found that the many-particle eigenvalues and eigenstates of the many-body density matrix $\rho_B$ of a block of $B$ sites cut out from an infinite chain of noninteracting spinless fermions can all be constructed out of the one-particle eigenvalues and one-particle eigenstates respectively. In this paper we 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 pseudo-energy 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. We then outlined the main ideas behind an operator-based truncation of the density matrix eigenstates, where single-particle pseudo-energy levels far away from the pseudo-Fermi level are removed as degrees of freedom. We report numerical evidence for scaling behaviours in the single-particle pseudo-energy spectrum for different block sizes $B$ and different filling fractions $\nbar$. With the aid of these scaling relations, which tells 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 a operator-based plane wave truncation scheme, and found to be very satisfactory.