Deep Density: Circumventing the Kohn-Sham equations via symmetry preserving neural networks
Published 2021 View Full Article
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Title
Deep Density: Circumventing the Kohn-Sham equations via symmetry preserving neural networks
Authors
Keywords
Deep neural networks, Kohn-Sham density functional theory, Symmetry, Self-consistent field iteration
Journal
JOURNAL OF COMPUTATIONAL PHYSICS
Volume 443, Issue -, Pages 110523
Publisher
Elsevier BV
Online
2021-06-29
DOI
10.1016/j.jcp.2021.110523
References
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