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Communications in Mathematical Physics

Generalized Trotter's formula and systematic approximants of exponential operators and inner derivations with applications to many-body problems

Masuo Suzuki

Published Jun 1, 1976• 895 citations
Publisher
DOI
10.1007/bf01609348

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arXiv:0812.0562•Journal of Physics A Mathematical and Theoretical•Jan 12, 2010•208 citations
We propose a variational alternative to the Trotter-Suzuki decomposition that provides greater control over errors while preserving the unitary structure of time evolution. The variational parameters in our ansatz are derived from a global action principle, where Euler-Lagrange equations govern their optimal dynamics. Unlike conventional wavefunction-based variational methods, our approach specifically targets the time evolution operation and this allows a single set of optimized parameters to be applied to any initial state for a fixed Hamiltonian avoiding costly optimization procedures. Our method outperforms the standard Trotter-Suzuki formulas, typically achieving higher accuracy than higher-order Suzuki schemes. This translates directly to quantum computing applications, where it enables the design of quantum circuits with fewer gates which reduces noise and improves precision. Although we focus on quantum dynamics, the method is broadly applicable to problems involving general time-evolution operators. Applied to various model Hamiltonians, our approach reduces errors by factors of 2 to 5 compared to Trotter-Suzuki decompositions, demonstrating its promise for accurate quantum simulation with improved efficiency. In certain cases, the variational ansatz achieves higher accuracy than more complex higher-order Suzuki formulas while reducing the gate count by nearly half within a single circuit layer. Furthermore, we derive approximate analytical expressions for the variational parameters up to cubic order in time, valid for generic Hamiltonians. These approximations enable long-time quantum simulations with improved accuracy over equivalent Suzuki decompositions, providing ready-to-use evolution formulas that match Suzuki's gate complexity while delivering better performance.
We present a decomposition scheme based on Lie–Trotter–Suzuki product formulae to approximate an ordered operator exponential with a product of ordinary operator exponentials. We show, using a counterexample, that Lie–Trotter–Suzuki approximations may be of a lower order than expected when applied to problems that have singularities or discontinuous derivatives of appropriate order. To address this problem, we present a set of criteria that is sufficient for the validity of these approximations, prove convergence and provide upper bounds on the approximation error. This work may shed light on why related product formulae fail to be as accurate as expected when applied to Coulomb potentials.