Superadiabatic Forces via the Acceleration Gradient in Quantum Many-Body Dynamics

We apply the formally exact quantum power functional framework (J. Chem. Phys. 2015, 143, 174108) to a one-dimensional Hooke’s helium model atom. The physical dynamics are described on the one-body level beyond the density-based adiabatic approximation. We show that gradients of both the microscopic...

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Detalles Bibliográficos
Autores principales: Brütting, Moritz, Trepl, Thomas, de las Heras, Daniel, Schmidt, Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6832129/
https://www.ncbi.nlm.nih.gov/pubmed/31614514
http://dx.doi.org/10.3390/molecules24203660

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6832129/
https://www.ncbi.nlm.nih.gov/pubmed/31614514
http://dx.doi.org/10.3390/molecules24203660

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