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

Phys Chem Chem Phys

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

Published: September 2020

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.

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Source
http://dx.doi.org/10.1039/d0cp03745aDOI Listing

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