The iPEPS algorithm, improved: fast full update and gauge fixing

TL;DR

This paper enhances the iPEPS algorithm for 2D quantum systems by introducing a fast full update scheme and gauge fixing, leading to improved stability, efficiency, and convergence in ground state calculations.

Contribution

It introduces a fast full update method and extends local gauge fixing to iPEPS, significantly improving computational efficiency and stability.

Findings

Dramatic computational savings with the fast full update.

Enhanced stability and convergence of the iPEPS algorithm.

Validated improvements on quantum Heisenberg and Ising models.

Abstract

The infinite Projected Entangled Pair States (iPEPS) algorithm [J. Jordan et al, PRL 101, 250602 (2008)] has become a useful tool in the calculation of ground state properties of 2d quantum lattice systems in the thermodynamic limit. Despite its many successful implementations, the method has some limitations in its present formulation which hinder its application to some highly-entangled systems. The purpose of this paper is to unravel some of these issues, in turn enhancing the stability and efficiency of iPEPS methods. For this, we first introduce the fast full update scheme, where effective environment and iPEPS tensors are both simultaneously updated (or evolved) throughout time. As we shall show, this implies two crucial advantages: (i) dramatic computational savings, and (ii) improved overall stability. Besides, we extend the application of the \emph{local gauge fixing}, successfully implemented for finite-size PEPS [M. Lubasch, J. Ignacio Cirac, M.-C. Ba\~{n}uls, PRB 90, 064425 (2014)], to the iPEPS algorithm. We see that the gauge fixing not only further improves the stability of the method, but also accelerates the convergence of the alternating least squares sweeping in the (either "full" or "fast full") tensor update scheme. The improvement in terms of computational cost and stability of the resulting "improved" iPEPS algorithm is benchmarked by studying the ground state properties of the quantum Heisenberg and transverse-field Ising models on an infinite square lattice.