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Development of a new quantum trajectory molecular dynamics framework

An extension to the wave packet description of quantum plasmas is presented, where the wave packet can be elongated in arbitrary directions. A generalized Ewald summation is constructed for the wave packet models accounting for long-range Coulomb interactions and fermionic effects are approximated b...

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Detalles Bibliográficos
Autores principales: Svensson, Pontus, Campbell, Thomas, Graziani, Frank, Moldabekov, Zhandos, Lyu, Ningyi, Batista, Victor S., Richardson, Scott, Vinko, Sam M., Gregori, Gianluca
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10315217/
https://www.ncbi.nlm.nih.gov/pubmed/37393934
http://dx.doi.org/10.1098/rsta.2022.0325