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Computing the Many-Body Green’s Function with Adaptive Variational Quantum Dynamics

[Image: see text] We present a method to compute the many-body real-time Green’s function using an adaptive variational quantum dynamics simulation approach. The real-time Green’s function involves the time evolution of a quantum state with one additional electron with respect to the ground state wa...

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Autores principales: Gomes, Niladri, Williams-Young, David B., de Jong, Wibe A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10269342/
https://www.ncbi.nlm.nih.gov/pubmed/37227367
http://dx.doi.org/10.1021/acs.jctc.3c00150
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author Gomes, Niladri
Williams-Young, David B.
de Jong, Wibe A.
author_facet Gomes, Niladri
Williams-Young, David B.
de Jong, Wibe A.
author_sort Gomes, Niladri
collection PubMed
description [Image: see text] We present a method to compute the many-body real-time Green’s function using an adaptive variational quantum dynamics simulation approach. The real-time Green’s function involves the time evolution of a quantum state with one additional electron with respect to the ground state wave function that is first expressed as a linear–linear combination of state vectors. The real-time evolution and the Green’s function are obtained by combining the dynamics of the individual state vectors in a linear combination. The use of the adaptive protocol enables us to generate compact ansatzes on-the-fly while running the simulation. In order to improve the convergence of spectral features, Padé approximants are applied to obtain the Fourier transform of the Green’s function. We demonstrate the evaluation of the Green’s function on an IBM Q quantum computer. As a part of our error mitigation strategy, we develop a resolution-enhancing method that we successfully apply on the noisy data from the real-quantum hardware.
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spelling pubmed-102693422023-06-16 Computing the Many-Body Green’s Function with Adaptive Variational Quantum Dynamics Gomes, Niladri Williams-Young, David B. de Jong, Wibe A. J Chem Theory Comput [Image: see text] We present a method to compute the many-body real-time Green’s function using an adaptive variational quantum dynamics simulation approach. The real-time Green’s function involves the time evolution of a quantum state with one additional electron with respect to the ground state wave function that is first expressed as a linear–linear combination of state vectors. The real-time evolution and the Green’s function are obtained by combining the dynamics of the individual state vectors in a linear combination. The use of the adaptive protocol enables us to generate compact ansatzes on-the-fly while running the simulation. In order to improve the convergence of spectral features, Padé approximants are applied to obtain the Fourier transform of the Green’s function. We demonstrate the evaluation of the Green’s function on an IBM Q quantum computer. As a part of our error mitigation strategy, we develop a resolution-enhancing method that we successfully apply on the noisy data from the real-quantum hardware. American Chemical Society 2023-05-25 /pmc/articles/PMC10269342/ /pubmed/37227367 http://dx.doi.org/10.1021/acs.jctc.3c00150 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Gomes, Niladri
Williams-Young, David B.
de Jong, Wibe A.
Computing the Many-Body Green’s Function with Adaptive Variational Quantum Dynamics
title Computing the Many-Body Green’s Function with Adaptive Variational Quantum Dynamics
title_full Computing the Many-Body Green’s Function with Adaptive Variational Quantum Dynamics
title_fullStr Computing the Many-Body Green’s Function with Adaptive Variational Quantum Dynamics
title_full_unstemmed Computing the Many-Body Green’s Function with Adaptive Variational Quantum Dynamics
title_short Computing the Many-Body Green’s Function with Adaptive Variational Quantum Dynamics
title_sort computing the many-body green’s function with adaptive variational quantum dynamics
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10269342/
https://www.ncbi.nlm.nih.gov/pubmed/37227367
http://dx.doi.org/10.1021/acs.jctc.3c00150
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