Quantum Chemistry on Quantum Computers: A Method for Preparation of Multiconfigurational Wave Functions on Quantum Computers without Performing Post-Hartree–Fock Calculations

[Image: see text] The full configuration interaction (full-CI) method is capable of providing the numerically best wave functions and energies of atoms and molecules within basis sets being used, although it is intractable for classical computers. Quantum computers can perform full-CI calculations i...

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Detalles Bibliográficos
Autores principales: Sugisaki, Kenji, Nakazawa, Shigeaki, Toyota, Kazuo, Sato, Kazunobu, Shiomi, Daisuke, Takui, Takeji
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6346626/
https://www.ncbi.nlm.nih.gov/pubmed/30693335
http://dx.doi.org/10.1021/acscentsci.8b00788

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6346626/
https://www.ncbi.nlm.nih.gov/pubmed/30693335
http://dx.doi.org/10.1021/acscentsci.8b00788

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