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Hardware efficient quantum algorithms for vibrational structure calculations

We introduce a framework for the calculation of ground and excited state energies of bosonic systems suitable for near-term quantum devices and apply it to molecular vibrational anharmonic Hamiltonians. Our method supports generic reference modal bases and Hamiltonian representations, including the...

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Detalhes bibliográficos
Publicado no:Chem Sci
Main Authors: Ollitrault, Pauline J., Baiardi, Alberto, Reiher, Markus, Tavernelli, Ivano
Formato: Artigo
Idioma:Inglês
Publicado em: Royal Society of Chemistry 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7448527/
https://ncbi.nlm.nih.gov/pubmed/32874524
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0sc01908a
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