Effective 1D Time-Dependent Schrödinger Equations for 3D Geometrically Correlated Systems

The so-called Born–Huang ansatz is a fundamental tool in the context of ab-initio molecular dynamics, viz., it allows effectively separating fast and slow degrees of freedom and thus treating electrons and nuclei with different mathematical footings. Here, we consider the use of a Born–Huang-like ex...

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Detalles Bibliográficos
Autores principales: Pandey, Devashish, Oriols, Xavier, Albareda, Guillermo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7372348/
https://www.ncbi.nlm.nih.gov/pubmed/32645915
http://dx.doi.org/10.3390/ma13133033

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7372348/
https://www.ncbi.nlm.nih.gov/pubmed/32645915
http://dx.doi.org/10.3390/ma13133033

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