Calculation of Core-Excited and Core-Ionized States Using Variational Quantum Deflation Method and Applications to Photocatalyst Modeling

[Image: see text] The possibility of performing quantum-chemical calculations using quantum computers has attracted much interest. Variational quantum deflation (VQD) is a quantum-classical hybrid algorithm for the calculation of excited states with noisy intermediate-scale quantum devices. Although...

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Detalles Bibliográficos
Autores principales: Shirai, Soichi, Horiba, Takahiro, Hirai, Hirotoshi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8973155/
https://www.ncbi.nlm.nih.gov/pubmed/35382310
http://dx.doi.org/10.1021/acsomega.2c01053

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8973155/
https://www.ncbi.nlm.nih.gov/pubmed/35382310
http://dx.doi.org/10.1021/acsomega.2c01053

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