Quantum Algorithm for Full Configuration Interaction Calculations without Controlled Time Evolutions

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 qu...

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Published inThe journal of physical chemistry letters Vol. 12; no. 45; pp. 11085 - 11089
Main Authors Sugisaki, Kenji, Sakai, Chikako, Toyota, Kazuo, Sato, Kazunobu, Shiomi, Daisuke, Takui, Takeji
Format Journal Article
LanguageEnglish
Published American Chemical Society 18.11.2021
Subjects
Physical Insights into Quantum Phenomena and Function
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Summary: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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ISSN:1948-7185
1948-7185
DOI:10.1021/acs.jpclett.1c03214