Complexity of quantum impurity problems

DOI10.1007/S00220-017-2976-9zbMATH Open1394.81171arXiv1609.00735OpenAlexW3099799934MaRDI QIDQ2411633FDOQ2411633

David Gosset, Sergey Bravyi

Publication date: 24 October 2017

Published in: Communications in Mathematical Physics (Search for Journal in Brave)

Abstract: We give a quasi-polynomial time classical algorithm for estimating the ground state energy and for computing low energy states of quantum impurity models. Such models describe a bath of free fermions coupled to a small interacting subsystem called an impurity. The full system consists of $n$ fermionic modes and has a Hamiltonian $H=H_0+H_{imp}$, where $H_0$ is quadratic in creation-annihilation operators and $H_{imp}$ is an arbitrary Hamiltonian acting on a subset of $O(1)$ modes. We show that the ground energy of $H$ can be approximated with an additive error $2^{-b}$ in time $n^{3}exp[O(b^3)]$. Our algorithm also finds a low energy state that achieves this approximation. The low energy state is represented as a superposition of $exp[O(b^3)]$ fermionic Gaussian states. To arrive at this result we prove several theorems concerning exact ground states of impurity models. In particular, we show that eigenvalues of the ground state covariance matrix decay exponentially with the exponent depending very mildly on the spectral gap of $H_0$. A key ingredient of our proof is Zolotarev's rational approximation to the $sqrtx$ function. We anticipate that our algorithms may be used in hybrid quantum-classical simulations of strongly correlated materials based on dynamical mean field theory. We implemented a simplified practical version of our algorithm and benchmarked it using the single impurity Anderson model.

Full work available at URL: https://arxiv.org/abs/1609.00735

zbMATH Keywords

complexityground statequantum impurity modellow energy state

Mathematics Subject Classification ID

Computational difficulty of problems (lower bounds, completeness, difficulty of approximation, etc.) (68Q17) Estimates of eigenvalues in context of PDEs (35P15) Unified quantum theories (81V22)

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Cited In (5)

• Complexity Invariance by Replication in the Quantum Square Well
• Matchgate shadows for fermionic quantum simulation
• Approximation algorithms for quantum many-body problems
• Free fermions behind the disguise
• Boundary theories of critical matchgate tensor networks

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