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Issue 37, 2020
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A probabilistic spin annihilation method for quantum chemical calculations on quantum computers

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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

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Article information


Submitted
14 Jul 2020
Accepted
04 Sep 2020
First published
17 Sep 2020

This article is Open Access

Phys. Chem. Chem. Phys., 2020,22, 20990-20994
Article type
Communication

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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