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Automatic differentiation for orbital-free density functional theory. (2023)

First Author: Tan CW

Attributed to: Support for the UKCP consortium funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/5.0138429

PubMed Identifier: 37003740

Publication URI: http://europepmc.org/abstract/MED/37003740

Type: Journal Article/Review

Volume: 158

Parent Publication: The Journal of chemical physics

Issue: 12

ISSN: 0021-9606