Post-Hartree-Fock method in Quantum Chemistry for Quantum Computer
Yutaka Shikano, Hiroshi C. Watanabe, Ken M. Nakanishi, Yu-ya Ohnishi
TL;DR
This paper reviews quantum computational chemistry, focusing on post-Hartree-Fock methods implemented on quantum computers, highlighting algorithms like quantum phase estimation and variational quantum eigensolver for solving electronic structure problems.
Contribution
It provides a comprehensive overview of applying quantum algorithms to post-Hartree-Fock methods in quantum chemistry, bridging classical and quantum computational approaches.
Findings
Quantum algorithms enable post-Hartree-Fock calculations on quantum computers.
Quantum phase estimation and variational quantum eigensolver are key methods.
Potential for quantum computers to solve complex electronic structure problems.
Abstract
Quantum computational chemistry is a potential application of quantum computers that is expected to effectively solve several quantum-chemistry problems, particularly the electronic structure problem. Quantum computational chemistry can be compared to the conventional computational devices. This review comprehensively investigates the applications and overview of quantum computational chemistry, including a review of the Hartree-Fock method for quantum information scientists. Quantum algorithms, quantum phase estimation, and variational quantum eigensolver, have been applied to the post-Hartree-Fock method.
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