Time-dependent optimized coupled-cluster method with doubles and perturbative triples for first principles simulation of multielectron dynamics

We report the formulation of a new, cost-effective approximation method in the time-dependent optimized coupled-cluster (TD-OCC) framework [T. Sato et al., J. Chem. Phys. 148, 051101 (2018)] for first-principles simulations of multielectron dynamics in an intense laser field. The method, designated...

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Detalles Bibliográficos
Autores principales: Pathak, Himadri, Sato, Takeshi, Ishikawa, Kenichi L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9513851/
https://www.ncbi.nlm.nih.gov/pubmed/36176891
http://dx.doi.org/10.3389/fchem.2022.982120

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9513851/
https://www.ncbi.nlm.nih.gov/pubmed/36176891
http://dx.doi.org/10.3389/fchem.2022.982120

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