Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 12, Issue 45, Pages 11085-11089Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.1c03214
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Funding
- JST PRESTO Quantum Software project, Japan [JPMJPR1914]
- KAKENHI Scientific Research C from JSPS, Japan [18K03465, 21K03407]
- AOARD Scientific Project on Molecular Spins for Quantum Technologies, USA [FA2386-17-1-4040, FA2386-17-1-4041]
- Grants-in-Aid for Scientific Research [21K03407, 18K03465] Funding Source: KAKEN
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The study discusses an application of the Bayesian phase difference estimation algorithm, which does not require controlled time evolution operations, for full-CI calculations.
A quantum phase estimation algorithm allows us to perform full configuration interaction (full-CI) calculations on quantum computers with polynomial costs against the system size under study, but it requires quantum simulation of the time evolution of the wave function conditional on an ancillary qubit, which makes the algorithm implementation on real quantum devices difficult. Here, we discuss an application of the Bayesian phase difference estimation algorithm that is free from controlled time evolution operations to the full-CI calculations.
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