Analyzing Grid-Based Direct Quantum Molecular Dynamics Using Non-Linear Dimensionality Reduction

Grid-based schemes for simulating quantum dynamics, such as the multi-configuration time-dependent Hartree (MCTDH) method, provide highly accurate predictions of the coupled nuclear and electronic dynamics in molecular systems. Such approaches provide a multi-dimensional, time-dependent view of the...

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Detalles Bibliográficos
Autores principales: Richings, Gareth W., Habershon, Scott
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8708769/
https://www.ncbi.nlm.nih.gov/pubmed/34946499
http://dx.doi.org/10.3390/molecules26247418

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8708769/
https://www.ncbi.nlm.nih.gov/pubmed/34946499
http://dx.doi.org/10.3390/molecules26247418

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