Interactions between large molecules pose a puzzle for reference quantum mechanical methods

Quantum-mechanical methods are used for understanding molecular interactions throughout the natural sciences. Quantum diffusion Monte Carlo (DMC) and coupled cluster with single, double, and perturbative triple excitations [CCSD(T)] are state-of-the-art trusted wavefunction methods that have been sh...

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Detalles Bibliográficos
Autores principales: Al-Hamdani, Yasmine S., Nagy, Péter R., Zen, Andrea, Barton, Dennis, Kállay, Mihály, Brandenburg, Jan Gerit, Tkatchenko, Alexandre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8225865/
https://www.ncbi.nlm.nih.gov/pubmed/34168142
http://dx.doi.org/10.1038/s41467-021-24119-3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8225865/
https://www.ncbi.nlm.nih.gov/pubmed/34168142
http://dx.doi.org/10.1038/s41467-021-24119-3

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