Quantum Algorithm for Numerical Energy Gradient Calculations at the Full Configuration Interaction Level of Theory-Reference-Cited by-同舟云学术

Quantum Algorithm for Numerical Energy Gradient Calculations at the Full Configuration Interaction Level of Theory

Published:2022-11-29 Issue:48 Volume:13 Page:11105-11111
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Sugisaki Kenji¹²³^ORCID,Wakimoto Hiroyuki¹,Toyota Kazuo¹,Sato Kazunobu¹^ORCID,Shiomi Daisuke¹^ORCID,Takui Takeji¹⁴^ORCID

Affiliation:

1. Department of Chemistry, Graduate School of Science, Osaka Metropolitan University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka558-8585, Japan

2. JSTPRESTO, 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), Sector V, Salt Lake, Kolkata700091, India

4. Research Support Department/University Research Administrator Center, University Administration Division, Osaka Metropolitan University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka558-8585, Japan

Funder

Precursory Research for Embryonic Science and Technology

Japan Society for the Promotion of Science

Asian Office of Aerospace Research and Development

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.2c02737

Reference45 articles.

1. Quantum Chemistry in the Age of Quantum Computing