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Computational Analysis of Chemical Reactions Using a Variational Quantum Eigensolver Algorithm without Specifying Spin Multiplicity
[Image: see text] The analysis of a chemical reaction along the ground-state potential energy surface in conjunction with an unknown spin state is challenging because electronic states must be separately computed several times using different spin multiplicities to find the lowest energy state. Howe...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10249088/ https://www.ncbi.nlm.nih.gov/pubmed/37305284 http://dx.doi.org/10.1021/acsomega.3c01875 |