Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer

Near-term quantum computers are expected to facilitate material and chemical research through accurate molecular simulations. Several developments have already shown that accurate ground-state energies for small molecules can be evaluated on present-day quantum devices. Although electronically excit...

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Detalles Bibliográficos
Autores principales: Asthana, Ayush, Kumar, Ashutosh, Abraham, Vibin, Grimsley, Harper, Zhang, Yu, Cincio, Lukasz, Tretiak, Sergei, Dub, Pavel A., Economou, Sophia E., Barnes, Edwin, Mayhall, Nicholas J.
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/PMC9977410/
https://www.ncbi.nlm.nih.gov/pubmed/36873839
http://dx.doi.org/10.1039/d2sc05371c

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9977410/
https://www.ncbi.nlm.nih.gov/pubmed/36873839
http://dx.doi.org/10.1039/d2sc05371c

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