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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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| Publicat a: | ACS Cent Sci |
|---|---|
| Autors principals: | , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
American Chemical Society
2018
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| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6346626/ https://ncbi.nlm.nih.gov/pubmed/30693335 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acscentsci.8b00788 |
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