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Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor

The computational description of correlated electronic structure, and particularly of excited states of many-electron systems, is an anticipated application for quantum devices. An important ramification is to determine the dominant molecular fragmentation pathways in photo-dissociation experiments...

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Detalles Bibliográficos
Autores principales: Motta, Mario, Jones, Gavin O., Rice, Julia E., Gujarati, Tanvi P., Sakuma, Rei, Liepuoniute, Ieva, Garcia, Jeannette M., Ohnishi, Yu-ya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10016331/
https://www.ncbi.nlm.nih.gov/pubmed/36937596
http://dx.doi.org/10.1039/d2sc06019a