Issue 37, 2020

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

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.

Graphical abstract: A probabilistic spin annihilation method for quantum chemical calculations on quantum computers

Supplementary files

Article information

Article type
Communication
Submitted
14 Jul 2020
Accepted
04 Sep 2020
First published
17 Sep 2020
This article is Open Access
Creative Commons BY license

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

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

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