Environment-matrix-product operator for boundary-free large-scale quantum many-body simulations
Phys. Rev. B 113, 245116 – Published 5 June, 2026
DOI: https://doi.org/10.1103/bbnt-brjz
Abstract
We propose an alternative to the infinite density-matrix renormalization approach for accessing quantum many-body states within a finite-size calculation that faithfully mimics the thermodynamic limit. Our method constructs environment-matrix-product operators (environment-MPOs) representing the Hamiltonian of semi-infinite regions surrounding the target system. Starting from the finite-size ground-state matrix-product state, we contract its Hamiltonian representation to generate effective environment-MPOs, which are then attached to a renewed finite system in a recursive manner. This iterative embedding drives the system toward a bulklike state with negligible finite-size effects. The scheme requires no assumption of homogeneity and is applied to random-singlet state realized under quenched bond randomness, as well as to the real-time dynamics simulations where the boundary reflections of quasiparticles are efficiently delayed.