Literature DB >> 32940301

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

Kenji Sugisaki1, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, Takeji Takui.   

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.

Year:  2020        PMID: 32940301     DOI: 10.1039/d0cp03745a

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  1 in total

1.  A quantum algorithm for spin chemistry: a Bayesian exchange coupling parameter calculator with broken-symmetry wave functions.

Authors:  Kenji Sugisaki; Kazuo Toyota; Kazunobu Sato; Daisuke Shiomi; Takeji Takui
Journal:  Chem Sci       Date:  2020-12-24       Impact factor: 9.825

  1 in total

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