Accurate non-covalent interaction energies on noisy intermediate-scale quantum computers via second-order symmetry-adapted perturbation theory

The calculation of non-covalent interaction energies on noisy intermediate-scale quantum (NISQ) computers appears to be challenging with straightforward application of existing quantum algorithms. For example, the use of the standard supermolecular method with the variational quantum eigensolver (VQ...

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Detalles Bibliográficos
Autores principales: Loipersberger, Matthias, Malone, Fionn D., Welden, Alicia R., Parrish, Robert M., Fox, Thomas, Degroote, Matthias, Kyoseva, Elica, Moll, Nikolaj, Santagati, Raffaele, Streif, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10055839/
https://www.ncbi.nlm.nih.gov/pubmed/37006701
http://dx.doi.org/10.1039/d2sc05896k

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10055839/
https://www.ncbi.nlm.nih.gov/pubmed/37006701
http://dx.doi.org/10.1039/d2sc05896k

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