Variational quantum eigensolver simulations with the multireference unitary coupled cluster ansatz: a case study of the C2v quasi-reaction pathway of beryllium insertion into a H2 molecule-Reference-Cited by-同舟云学术

Variational quantum eigensolver simulations with the multireference unitary coupled cluster ansatz: a case study of the C_2v quasi-reaction pathway of beryllium insertion into a H₂ molecule

Published:2022 Issue:14 Volume:24 Page:8439-8452
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sugisaki Kenji¹²³^ORCID,Kato Takumi⁴,Minato Yuichiro⁴,Okuwaki Koji⁵,Mochizuki Yuji⁵⁶^ORCID

Affiliation:

1. Department of Chemistry, Graduate School of Science, Osaka City University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585, Japan

2. JST PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan

3. Centre for Quantum Engineering, Research and Education (CQuERE), TCG Centres for Research and Education in Science and Technology (TCG CREST), 16th Floor, Omega, BIPL Building, Blocks EP & GP, Sector V, Salt Lake, Kolkata, 700091, India

4. Blueqat Inc., 2-24-12 Shibuya, Shibuya-ku, Tokyo 150-6139, Japan

5. Department of Chemistry, Faculty of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan

6. Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, Japan

Abstract

Numerical simulations of the variational quantum eigensolver calculations along the quasi-reaction pathway of Be insertion into a H2 molecule revealed the importance of multireference treatments in strongly correlated systems.

Funder

Japan Science and Technology Agency

Japan Society for the Promotion of Science

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP04318H

Reference104 articles.

1. P. W.Shor , Algorithms for quantum computation: discrete logarithms and factoring , in Proc. 35th Ann. Symp. on the Foundations of Computer Science , ed. S. Goldwasser , IEEE Computer Society Press , Los Alamitos, California , 1994 , pp. 124–134

2. Simulated Quantum Computation of Molecular Energies

3. S.Krinner , N.Lacroix , A.Remm , A.Di Paolo , E.Genois , C.Leroux , C.Hellings , S.Lazar , F.Swiadek , J.Herrmann , G. J.Norris , C. K.Andersen , M.Müller , A.Blais , C.Eichler and A.Wallraff , Realizing repeated quantum error correction in a distance-three surface code , 2021 , arXiv:2112.03708 10.48550/arXiv.2112.03708

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