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arXiv:1802.07347 · Physical Review Letters

Electron-Phonon Systems on a Universal Quantum Computer

Alexandru Macridin, Panagiotis Spentzouris, James Frederick Amundson, Roni Harnik

Published Sep 12, 2018• 124 citations
arXivHTMLPDF

Abstract

We present an algorithm that extends existing quantum algorithms for simulating fermion systems in quantum chemistry and condensed matter physics to include bosons in general and phonons in particular. We introduce a qubit representation for the low-energy subspace of phonons which allows an efficient simulation of the evolution operator of the electron-phonon systems. As a consequence of the Nyquist-Shannon sampling theorem, the phonons are represented with exponential accuracy on a discretized Hilbert space with a size that increases linearly with the cutoff of the maximum phonon number. The additional number of qubits required by the presence of phonons scales linearly with the size of the system. The additional circuit depth is constant for systems with finite-range electron-phonon and phonon-phonon interactions and linear for long-range electron-phonon interactions. Our algorithm for a Holstein polaron problem was implemented on an Atos quantum learning machine quantum simulator employing the quantum phase estimation method. The energy and the phonon number distribution of the polaron state agree with exact diagonalization results for weak, intermediate, and strong electron-phonon coupling regimes.

DOI
10.1103/physrevlett.121.110504

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We introduce a method for representing the low-energy subspace of a bosonic field theory on the qubit space of digital quantum computers. This discretization leads to an exponentially precise description of the subspace of the continuous theory thanks to the Nyquist-Shannon sampling theorem. The method makes the implementation of quantum algorithms for purely bosonic systems as well as fermion-boson interacting systems feasible. We present algorithmic circuits for computing the time evolution of these systems. The complexity of the algorithms scales polynomially with the system size. The algorithm is a natural extension of the existing quantum algorithms for simulating fermion systems in quantum chemistry and condensed-matter physics to systems involving bosons and fermion-boson interactions and has a broad variety of potential applications in particle physics, condensed matter, etc. Due to the relatively small amount of additional resources required by the inclusion of bosons in our algorithm, the simulation of electron-phonon and similar systems can be placed in the same near-future reach as the simulation of interacting electron systems. We benchmark our algorithm by implementing it for a two-site Holstein polaron problem on an Atos Quantum Learning Machine quantum simulator. The polaron quantum simulations are in excellent agreement with the results obtained by exact diagonalization.
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Simulating electron-phonon interactions on quantum computers remains challenging, with most algorithmic effort focused on Hamiltonian simulation and circuit optimization. In this work, we study the single-electron Holstein model and propose an initial-state ansatz that substantially enhances ground state overlap in the strong coupling regime, thereby reducing the number of iterations required in standard quantum phase estimation. We further show that this ansatz can be implemented efficiently and yields an exponential reduction in overall circuit costs relative to conventional initial guesses. Our results highlight the practical value of incorporating physical intuition into initial state preparation for electron-phonon coupled systems.
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Digital quantum simulation of electron-phonon systems requires truncating infinite phonon levels into NNN basis states and then encoding them with qubit computational basis. Unary encoding and binary encoding are the two most representative encoding schemes, which demand O(N)O(N)O(N) and O(logN)O(logN)O(logN) qubits as well as O(N)O(N)O(N) and O(NlogN)O(NlogN)O(NlogN) quantum gates, respectively. In this paper, we propose a variational basis state encoding algorithm that reduces the scaling of the number of qubits and quantum gates to both O(1)O(1)O(1) for systems obeying the area law of entanglement entropy. The cost for the scaling reduction is a constant amount of additional measurement. The accuracy and efficiency of the approach are verified by both numerical simulation and realistic quantum hardware experiments. In particular, we find using one or two qubits for each phonon mode is sufficient to produce quantitatively correct results across weak and strong coupling regimes. Our approach paves the way for practical quantum simulation of electron-phonon systems on both near-term hardware and error-corrected quantum computers.