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arXiv:2604.00127 · APS Open Science

Scattering phase shift in quantum mechanics on quantum computers: non-Hermitian systems and imaginary-time simulations

Peng Guo, Paul LeVan, Frank X. Lee, Yong Zhao

quant-phcond-mat.otherhep-lathep-phnucl-thSubmitted Mar 31, 2026• Announced Apr 2, 2026• 0 citations• Revised Aug 6, 2026 (v2)
v1 · Mar 31, 2026v2 · Aug 6, 2026
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Abstract

To overcome the fast oscillatory behavior of correlation functions for extracting scattering phase shift in real-time quantum simulations encountered in Ref.\cite{Guo:2026qkx}, we propose and test two solutions in the present work. One is to simulate Hermitian systems in imaginary time, the other is to simulate non-Hermitian systems in real time. We demonstrate that both approaches lead to the problem of non-unitary quantum evolution which can be solved by combining two quantum algorithms: block encoding and Hadamard test. The combined quantum algorithm does not require mid-circuit measurements or adjustment of the input parameters of the Hamiltonian, and can be easily implemented on quantum computers. Numerical tests on quantum simulators show that both approaches agree with exact solutions for a sufficiently long time before the signal is lost in statistical fluctuations. The results bode well for using non-Hermitian and imaginary-time simulations to circumvent oscillations inherent in real-time simulation of other quantum systems. In particular, the non-Hermitian approach shows a decisive advantage over the imaginary-time one on the number of required ancillary qubits, and hence is more practical to scale up.

Comments
11 pages, 11 figures, match to accepted version at APS open science

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Transcorrelated methods provide an efficient way of partially transferring the description of electronic correlations from the ground-state wave function directly into the underlying Hamiltonian. In particular, Dobrautz et al. [Phys. Rev. B 99, 075119 (2019)] have demonstrated that the use of momentum-space representation, combined with a nonunitary similarity transformation, results in a Hubbard Hamiltonian that possesses a significantly more ``compact'' ground-state wave function, dominated by a single Slater determinant. This compactness/single-reference character greatly facilitates electronic structure calculations. As a consequence, however, the Hamiltonian becomes non-Hermitian, posing problems for quantum algorithms based on the variational principle. We overcome these limitations with the Ansatz-based quantum imaginary-time evolution algorithm and apply the transcorrelated method in the context of digital quantum computing. We demonstrate that this approach enables up to four orders of magnitude more accurate and compact solutions in various instances of the Hubbard model at intermediate interaction strength (U/t=4U/t=4U/t=4), enabling the use of shallower quantum circuits for wave-function Ans\"atzes. In addition, we propose a more efficient implementation of the quantum imaginary-time evolution algorithm in quantum circuits that is tailored to non-Hermitian problems. To validate our approach, we perform hardware experiments on the ibmq_lima quantum computer. Our work paves the way for the use of exact transcorrelated methods for the simulations of ab initio systems on quantum computers.