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Springer proceedings in physics

New Scheme of Hybrid Exponential Product Formulas with Applications to Quantum Monte-Carlo Simulations

Masuo Suzuki

Published Jan 1, 1995• 30 citations
Publisher
DOI
10.1007/978-3-642-79991-4_21

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We explore two complementary modifications of the hybridization-expansion continuous-time Monte Carlo method, aiming at large multi-orbital quantum impurity problems. One idea is to compute the imaginary-time propagation using a matrix product state representation. We show that bond dimensions considerably smaller than the dimension of the Hilbert space are sufficient to obtain accurate results and that this approach scales polynomially, rather than exponentially with the number of orbitals. Based on scaling analyses, we conclude that a matrix product state implementation will outperform the exact-diagonalization based method for quantum impurity problems with more than 12 orbitals. The second idea is an improved Monte Carlo sampling scheme which is applicable to all variants of the hybridization expansion method. We show that this so-called sliding window sampling scheme speeds up the simulation by at least an order of magnitude for a broad range of model parameters, with the largest improvements at low temperature.
Abstract Trotter product formulas constitute a cornerstone quantum Hamiltonian simulation technique. However, the efficient implementation of Hamiltonian evolution of nested commutators remains an under explored area.In this work, we construct optimized product formulas of orders 3 to 6 approximating the exponential of a commutator of two arbitrary operators in terms of the exponentials of the operators involved. The new schemes require a reduced number of exponentials and thus provide more efficient approximations than other previouslypublished alternatives. They can also be used as basic methods in recursive procedures to increasethe order of approximation.We expect this research will improve the efficiency of quantum control protocols, as well as quantum algorithms such as the Zassenhaus-based product formula, Magnus operator-based time-dependent simulation, and product formula schemes with modified potentials.