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arXiv:2511.22669 · Physical review. B./Physical review. B

Accurate computation of the energy variance and $\langle\langle \mathcal{L}^\dagger \mathcal{L} \rangle\rangle$ using iPEPS

Emilio Cortés Estay, Naushad A. Kamar, Philippe Corboz

cond-mat.str-elquant-phSubmitted Nov 27, 2025• Announced Nov 28, 2025• 0 citations

v1 · Nov 27, 2025 v2 · Jun 23, 2026

Abstract

Infinite projected entangled-pair states (iPEPS) provide a powerful tensor network ansatz for two-dimensional quantum many-body systems in the thermodynamic limit. In this paper we introduce an approach to accurately compute the energy variance of an iPEPS, enabling systematic extrapolations of the ground-state energy to the exact zero-variance limit. It is based on the contraction of a large cell of tensors using the corner transfer matrix renormalization group (CTRMG) method, to evaluate the correlator between pairs of local Hamiltonian terms. We show that the accuracy of this approach is substantially higher than that of previous methods, and we demonstrate the usefulness of variance extrapolation for the Heisenberg model, for a free fermionic model, and for the Shastry-Sutherland model. Finally, we apply the approach to compute $\langle \langle \mathcal{L}^\dagger \mathcal{L} \rangle \rangle$ for an open quantum system described by the Liouvillian $\mathcal{L}$, in order to assess the quality of the steady-state solution and to locate first-order phase transitions, using the dissipative quantum Ising model as an example.

Journal reference: Phys. Rev. B 113, 245114 (2026)
DOI: 10.1103/fkyw-c5tn
Comments: 9 pages, 7 figures

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Accurate computation of the energy variance and

\langle\langle \mathcal{L}^\dagger \mathcal{L} \rangle\rangle

using iPEPS

Infinite projected entangled-pair states (iPEPS) provide a powerful tensor network ansatz for two-dimensional quantum many-body systems in the thermodynamic limit. In this paper we introduce an approach to accurately compute the energy variance of an iPEPS, enabling systematic extrapolations of the ground-state energy to the exact zero-variance limit. It is based on the contraction of a large cell of tensors using the corner transfer matrix renormalization group (CTRMG) method, to evaluate the correlator between pairs of local Hamiltonian terms. We show that the accuracy of this approach is substantially higher than that of previous methods, and we demonstrate the usefulness of variance extrapolation for the Heisenberg model, for a free fermionic model, and for the Shastry-Sutherland model. Finally, we apply the approach to compute

\langle \langle \mathcal{L}^\dagger \mathcal{L} \rangle \rangle

for an open quantum system described by the Liouvillian

\langle \langle \mathcal{L}^\dagger \mathcal{L} \rangle \rangle

, in order to assess the quality of the steady-state solution and to locate first-order phase transitions, using the dissipative quantum Ising model as an example.

An infinite projected entangled-pair state (iPEPS) is a variational tensor network ansatz for two-dimensional wave functions in the thermodynamic limit where the accuracy can be systematically controlled by the bond dimension

D

. We show that for the doped Hubbard model in the strongly correlated regime

(U/t=8,n=0.875)

the iPEPS yields lower variational energies than state-of-the-art variational methods in the large two-dimensional limit, which demonstrates the competitiveness of the method. In order to obtain an accurate estimate of the energy in the exact infinite-

D

limit we introduce and test an extrapolation technique based on a truncation error computed in the iPEPS imaginary time evolution algorithm. The extrapolated energies are compared with accurate quantum Monte Carlo results at half-filling and with various other methods in the doped, strongly correlated regime.

Infinite projected entangled-pair states (iPEPS) provide a powerful tool to study two-dimensional strongly correlated systems directly in the thermodynamic limit. In this work, we extend the iPEPS toolbox by a method to efficiently evaluate nonequal time two-point correlators, enabling the computation of spectral functions. It is based on an iPEPS ansatz of the ground state in a large unit cell, with an operator applied in the center of the cell, which is evolved in real-time using the fast-full update method. At every time step, the two-point correlators within a cell are computed based on the corner transfer matrix renormalization group method. Benchmark results for the two-dimensional transverse field Ising model show that the main features of the dynamical structure factor can already be reproduced at relatively small bond dimensions and unit cell sizes. The results for the magnon dispersion are found to be in good agreement with previous data obtained with the iPEPS excitation ansatz.

The infinite projected entangled-pair state (iPEPS) algorithm is one of the most efficient techniques for studying the ground-state properties of two-dimensional quantum lattice Hamiltonians in the thermodynamic limit. Here, we show how the algorithm can be adapted to explore nearest-neighbor local Hamiltonians on the ruby and triangle-honeycomb lattices, using the corner transfer matrix (CTM) renormalization group for 2D tensor network contraction. Additionally, we show how the CTM method can be used to calculate the ground-state fidelity per lattice site and the boundary density operator and entanglement entropy (EE) on an infinite cylinder. As a benchmark, we apply the iPEPS method to the ruby model with anisotropic interactions and explore the ground-state properties of the system. We further extract the phase diagram of the model in different regimes of the couplings by measuring two-point correlators, ground-state fidelity, and EE on an infinite cylinder. Our phase diagram is in agreement with previous studies of the model by exact diagonalization.

An extension of the projected entangled-pair states (PEPS) algorithm to infinite systems, known as the iPEPS algorithm, was recently proposed to compute the ground state of quantum systems on an infinite two dimensional lattice. Here we investigate a modification of the iPEPS algorithm, where the environment is computed using the corner transfer matrix renormalization group (CTMRG) method, instead of using one-dimensional transfer matrix methods as in the original proposal. We describe a variant of the CTMRG that addresses different directions of the lattice independently, and use it combined with imaginary time evolution to compute the ground state of the two dimensional quantum Ising model. Near criticality, the modified iPEPS algorithm is seen to provide a better estimation of the order parameter and correlators.

The infinite Projected Entangled-Pair State (iPEPS) algorithm is one of the most efficient techniques for studying the ground-state properties of two-dimensional quantum lattice Hamiltonians in the thermodynamic limit. Here, we show how the algorithm can be adapted to explore nearest-neighbuor local Hamiltonians on the ruby and triangle-honeycomb lattices, using Corner Transfer Matrix (CTM) renormalization group for 2D tensor network contraction. Additionally, we show how the CTM method can be used to calculate the ground state fidelity per lattice site and the boundary density operator and entanglement entropy (EE) on an infinite cylinder. As a benchmark, we apply the iPEPS method to the ruby model with anisotropic interactions and explore the ground-state properties of the system. We further extract the phase diagram of the model in different regimes of the couplings by measuring two-point correlators, ground sate fidelity and EE on an infinite cylinder. Our phase diagram is in agreement with previous studies of the model by exact diagonalization.

An infinite projected entangled-pair state (iPEPS) is a powerful variational tensor network ansatz for two-dimensional ground states in the thermodynamic limit, and can be seen as a natural generalization of a matrix-product state to two dimensions. One of the main challenges in iPEPS simulations is the optimization of the tensors, i.e., finding the optimal variational parameters, in order to have the best representation of the ground state of a given Hamiltonian. The author presents a variational optimization scheme, in which the energy is minimized in an iterative way by sweeping over all the tensors in the ansatz, in a similar spirit as done in the density-matrix renormalization group method. Benchmark results for challenging problems are presented that show that the variational scheme yields considerably more accurate results than the previously best imaginary-time evolution algorithm, with a similar computational cost and with a faster convergence towards the ground state.