A probabilistic spin annihilation method for quantum chemical calculations on quantum computers

Kenji Sugisaki; Kazuo Toyota; Kazunobu Sato; Daisuke Shiomi; Takeji Takui

doi:10.1039/D0CP03745A

You do not have JavaScript enabled. Please enable JavaScript to access the full features of the site or access our non-JavaScript page.

A probabilistic spin annihilation method for quantum chemical calculations on quantum computers†

Kenji Sugisaki,

*^ab Kazuo Toyota,^a Kazunobu Sato,

*^a Daisuke Shiomi^a and Takeji Takui

*^ac

Author affiliations

* Corresponding authors

^a Department of Chemistry and Molecular Materials Science, Graduate School of Science, Osaka City University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585, Japan
E-mail: sugisaki@sci.osaka-cu.ac.jp, sato@sci.osaka-cu.ac.jp

^b JST, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan

^c Research Support Department/University Research Administrator Center, University Administration Division, Osaka City University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585, Japan
E-mail: takui@sci.osaka-cu.ac.jp

Abstract

A probabilistic spin annihilation method based on the quantum phase estimation algorithm is presented for quantum chemical calculations on quantum computers. This approach can eliminate more than one spin component from the spin contaminated wave functions by single operation. Comparison with the spin annihilation operation on classical computers is given.

This article is part of the themed collection: 2020 PCCP HOT Articles

Download options Please wait...

Supplementary files

Supplementary information PDF (990K)

Article information

DOI: https://doi.org/10.1039/D0CP03745A
Article type: Communication
Submitted: 14 Jul 2020
Accepted: 04 Sep 2020
First published: 17 Sep 2020
This article is Open Access

Download Citation

Phys. Chem. Chem. Phys., 2020,22, 20990-20994

Permissions

Request permissions

A probabilistic spin annihilation method for quantum chemical calculations on quantum computers

K. Sugisaki, K. Toyota, K. Sato, D. Shiomi and T. Takui, Phys. Chem. Chem. Phys., 2020, 22, 20990 DOI: 10.1039/D0CP03745A

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

Social activity

Fetching data from CrossRef.
This may take some time to load.

Physical Chemistry Chemical Physics

A probabilistic spin annihilation method for quantum chemical calculations on quantum computers†

Abstract

Supplementary files

Article information

Download Citation

Permissions

A probabilistic spin annihilation method for quantum chemical calculations on quantum computers

Social activity

Search articles by author

Spotlight

Advertisements