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Digital quantum simulation of molecular vibrations

Molecular vibrations underpin important phenomena such as spectral properties, energy transfer, and molecular bonding. However, obtaining a detailed understanding of the vibrational structure of even small molecules is computationally expensive. While several algorithms exist for efficiently solving...

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Vydáno v:Chem Sci
Hlavní autoři: McArdle, Sam, Mayorov, Alexander, Shan, Xiao, Benjamin, Simon, Yuan, Xiao
Médium: Artigo
Jazyk:Inglês
Vydáno: Royal Society of Chemistry 2019
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC6568047/
https://ncbi.nlm.nih.gov/pubmed/31293758
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c9sc01313j
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