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Quantum Algorithm for Full Configuration Interaction Calculations without Controlled Time Evolutions

Kenji Sugisaki, Chikako Sakai, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, Takeji Takui

2021The Journal of Physical Chemistry Letters17 citationsDOIOpen Access PDF

Abstract

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.

Topics & Concepts

Quantum phase estimation algorithmAlgorithmQuantum algorithmComputer scienceQuantumQubitQuantum computerTime complexityQuantum Fourier transformFunction (biology)Phase (matter)Quantum error correctionPhysicsQuantum mechanicsBiologyEvolutionary biologyQuantum Computing Algorithms and ArchitectureQuantum Information and CryptographyQuantum and electron transport phenomena
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