Comparative study on compact quantum circuits of hybrid quantum-classical algorithms for quantum impurity models

Fuente: arXiv
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Main Authors: Sakurai, Rihito, Backhouse, Oliver J., Booth, George H., Mizukami, Wataru, Shinaoka, Hiroshi
Format: Preprint
Published: 2023
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author Sakurai, Rihito
Backhouse, Oliver J.
Booth, George H.
Mizukami, Wataru
Shinaoka, Hiroshi
author_facet Sakurai, Rihito
Backhouse, Oliver J.
Booth, George H.
Mizukami, Wataru
Shinaoka, Hiroshi
contents Predicting the properties of strongly correlated materials is a significant challenge in condensed matter theory. The widely used dynamical mean-field theory faces difficulty in solving quantum impurity models numerically. Hybrid quantum--classical algorithms such as variational quantum eigensolver emerge as a potential solution for quantum impurity models. A common challenge in these algorithms is the rapid growth of the number of variational parameters with the number of spin-orbitals in the impurity. In our approach to this problem, we develop compact ansatzes using a combination of two different strategies. First, we employ compact physics-inspired ansatz, $k$-unitary cluster Jastrow ansatz, developed in the field of quantum chemistry. Second, we eliminate largely redundant variational parameters of physics-inspired ansatzes associated with bath sites based on physical intuition. This is based on the fact that a quantum impurity model with a star-like geometry has no direct hopping between bath sites. We benchmark the accuracy of these ansatzes for both ground-state energy and dynamic quantities by solving typical quantum impurity models with/without shot noise. The results suggest that we can maintain the accuracy of ground-state energy while we drop the number of variational parameters associated with bath sites. Furthermore, we demonstrate that a moment expansion, when combined with the proposed ansatzes, can calculate the imaginary-time Green's functions under the influence of shot noise. This study demonstrates the potential for addressing complex impurity models in large-scale quantum simulations with fewer variational parameters without sacrificing accuracy.
format Preprint
id arxiv_https___arxiv_org_abs_2312_04105
institution arXiv
publishDate 2023
record_format arxiv
spellingShingle Comparative study on compact quantum circuits of hybrid quantum-classical algorithms for quantum impurity models
Sakurai, Rihito
Backhouse, Oliver J.
Booth, George H.
Mizukami, Wataru
Shinaoka, Hiroshi
Quantum Physics
Strongly Correlated Electrons
Predicting the properties of strongly correlated materials is a significant challenge in condensed matter theory. The widely used dynamical mean-field theory faces difficulty in solving quantum impurity models numerically. Hybrid quantum--classical algorithms such as variational quantum eigensolver emerge as a potential solution for quantum impurity models. A common challenge in these algorithms is the rapid growth of the number of variational parameters with the number of spin-orbitals in the impurity. In our approach to this problem, we develop compact ansatzes using a combination of two different strategies. First, we employ compact physics-inspired ansatz, $k$-unitary cluster Jastrow ansatz, developed in the field of quantum chemistry. Second, we eliminate largely redundant variational parameters of physics-inspired ansatzes associated with bath sites based on physical intuition. This is based on the fact that a quantum impurity model with a star-like geometry has no direct hopping between bath sites. We benchmark the accuracy of these ansatzes for both ground-state energy and dynamic quantities by solving typical quantum impurity models with/without shot noise. The results suggest that we can maintain the accuracy of ground-state energy while we drop the number of variational parameters associated with bath sites. Furthermore, we demonstrate that a moment expansion, when combined with the proposed ansatzes, can calculate the imaginary-time Green's functions under the influence of shot noise. This study demonstrates the potential for addressing complex impurity models in large-scale quantum simulations with fewer variational parameters without sacrificing accuracy.
title Comparative study on compact quantum circuits of hybrid quantum-classical algorithms for quantum impurity models
topic Quantum Physics
Strongly Correlated Electrons
url https://arxiv.org/abs/2312.04105