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...

Descripción completa

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

Ejemplares similares

Ejemplares similares