https://doi.org/10.1140/epjs/s11734-021-00087-z
Review
Post-Hartree–Fock method in quantum chemistry for quantum computer
1
Graduate School of Science and Technology, Gunma University, Gunma, Japan
2
Quantum Computing Center, Keio University, Yokohama, Japan
3
Institute for Quantum Studies, Chapman University, Orange, CA, USA
4
JST PRESTO, Saitama, Japan
5
Institute for Physics of Intelligence Graduate School of Science, The University of Tokyo, Tokyo, Japan
6
Department of Physics, The University of Tokyo, Tokyo, Japan
7
Materials Informatics Initiative, RD Technology and Digital Transformation Center, JSR Corporation, Mie, Japan
Received:
8
June
2020
Accepted:
6
January
2021
Published online:
26
April
2021
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.
© The Author(s), under exclusive licence to EDP Sciences, Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2021
