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Coupled Cluster Simulation of Impulsive Stimulated X-ray Raman Scattering

[Image: see text] Time-dependent equation-of-motion coupled cluster (TD-EOM-CC) is used to simulate impulsive stimulated X-ray Raman scattering (ISXRS) of ultrashort laser pulses by neon, carbon monoxide, pyrrole, and p-aminophenol. The TD-EOM-CC equations are expressed in the basis of field-free EO...

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Detalles Bibliográficos
Autores principales: Balbi, Alice, Skeidsvoll, Andreas S., Koch, Henrik
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10591507/
https://www.ncbi.nlm.nih.gov/pubmed/37812082
http://dx.doi.org/10.1021/acs.jpca.3c03678