Reduction of the molecular hamiltonian matrix using quantum community detection

Quantum chemistry is interested in calculating ground and excited states of molecular systems by solving the electronic Schrödinger equation. The exact numerical solution of this equation, frequently represented as an eigenvalue problem, remains unfeasible for most molecules and requires approximate...

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Detalles Bibliográficos
Autores principales: Mniszewski, Susan M., Dub, Pavel A., Tretiak, Sergei, Anisimov, Petr M., Zhang, Yu, Negre, Christian F. A.
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/PMC7892829/
https://www.ncbi.nlm.nih.gov/pubmed/33602988
http://dx.doi.org/10.1038/s41598-021-83561-x

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7892829/
https://www.ncbi.nlm.nih.gov/pubmed/33602988
http://dx.doi.org/10.1038/s41598-021-83561-x

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