4.4 Review

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

期刊

EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS
卷 230, 期 4, 页码 1037-1051

出版社

SPRINGER HEIDELBERG
DOI: 10.1140/epjs/s11734-021-00087-z

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资金

  1. JSPS KAKENHI [17K05082, 19K14636, 19H05156, 20J13955, 20H00335, 20H05518, 20K03885]
  2. JST, PRESTO [JPMJPR20M4, JPMJPR17GC, JPMJPR19MB]
  3. IPA through MITOU Target program
  4. MEXT Quantum Leap Flagship Program [JPMXS0118067285]
  5. Grants-in-Aid for Scientific Research [20J13955, 20K03885, 20H00335, 20H05518, 19H05156, 19K14636, 17K05082] Funding Source: KAKEN

向作者/读者索取更多资源

Quantum computational chemistry is a potential application of quantum computers that aims to effectively solve quantum-chemistry problems, particularly the electronic structure problem. Quantum algorithms, phase estimation, and variational quantum eigensolver have been applied in post-Hartree-Fock methods.
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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