Post-Hartree-Fock method in quantum chemistry for quantum computer

被引：11

作者：

Shikano, Yutaka ^{[1
,2
,3
,4
]}

Watanabe, Hiroshi C. ^{[2
,4
]}

Nakanishi, Ken M. ^{[2
,5
,6
]}

Ohnishi, Yu-ya ^{[2
,7
]}

机构：

[1] Gunma Univ, Grad Sch Sci & Technol, Gunma, Japan

[2] Keio Univ, Quantum Comp Ctr, Yokohama, Kanagawa, Japan

[3] Chapman Univ, Inst Quantum Studies, Orange, CA USA

[4] JST PRESTO, Saitama, Japan

[5] Univ Tokyo, Grad Sch Sci, Inst Phys Intelligence, Tokyo, Japan

[6] Univ Tokyo, Dept Phys, Tokyo, Japan

[7] JSR Corp, Mat Informat Initiat, RD Technol & Digital Transformat Ctr, Yokaichi, Mie, Japan

来源：

EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS | 2021年 / 230卷 / 04期

关键词：

BORN-OPPENHEIMER; DYNAMICS; ENERGY;

D O I：

10.1140/epjs/s11734-021-00087-z

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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.

引用

页码：1037 / 1051

页数：15

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