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Artificial Neural Networks as Mappings between Proton Potentials, Wave Functions, Densities, and Energy Levels

Artificial neural networks (ANNs) have become important in quantum chemistry. Herein, applications to nuclear quantum effects, such as zero-point energy, vibrationally excited states, and hydrogen tunneling, are explored. ANNs are used to solve the time-independent Schrödinger equation for single- a...

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Detalhes bibliográficos
Publicado no:J Phys Chem Lett
Main Authors: Secor, Maxim, Soudackov, Alexander V., Hammes-Schiffer, Sharon
Formato: Artigo
Idioma:Inglês
Publicado em: 2021
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8021271/
https://ncbi.nlm.nih.gov/pubmed/33630595
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.1c00229
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