Maximally Localized Dynamical Quantum Embedding for Solving Many-Body Correlated Systems

TY - JOUR

T1 - Maximally Localized Dynamical Quantum Embedding for Solving Many-Body Correlated Systems

AU - Weber, Cedric

AU - Lupo, Carla

AU - Tse, Terence

AU - Jamet, Francois

PY - 2021/6/24

Y1 - 2021/6/24

N2 - Quantum computing opens new avenues for modelling correlated materials, notoriously challenging to solve due to the presence of large electronic correlations. Quantum embedding approaches, such as the dynamical mean-field theory, provide corrections to first-principles calculations for strongly correlated materials, which are poorly described at lower levels of theory. Such embedding approaches are computationally demanding on classical computing architectures, and hence remain restricted to small systems, which limits the scope of applicability. Hitherto, implementations on quantum computers are limited by hardware constraints. Here, we derive a compact representation, where the number of quantum states is reduced for a given system, while retaining a high level of accuracy. We benchmark our method for archetypal quantum states of matter that emerge due to electronic correlations, such as Kondo and Mott physics, both at equilibrium and for quenched systems. We implement this approach on a quantum emulator demonstrating a reduction of the required number of qubits.

AB - Quantum computing opens new avenues for modelling correlated materials, notoriously challenging to solve due to the presence of large electronic correlations. Quantum embedding approaches, such as the dynamical mean-field theory, provide corrections to first-principles calculations for strongly correlated materials, which are poorly described at lower levels of theory. Such embedding approaches are computationally demanding on classical computing architectures, and hence remain restricted to small systems, which limits the scope of applicability. Hitherto, implementations on quantum computers are limited by hardware constraints. Here, we derive a compact representation, where the number of quantum states is reduced for a given system, while retaining a high level of accuracy. We benchmark our method for archetypal quantum states of matter that emerge due to electronic correlations, such as Kondo and Mott physics, both at equilibrium and for quenched systems. We implement this approach on a quantum emulator demonstrating a reduction of the required number of qubits.

M3 - Article

JO - Nature Computational Science

JF - Nature Computational Science

ER -