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Reconsidering power functional theory. | LitMetric

Reconsidering power functional theory.

J Chem Phys

Institute for Applied Physics, University of Tübingen, Auf der Morgenstelle 10, 72076 Tübingen, Germany.

Published: September 2021

The original derivation of power functional theory [M. Schmidt and J. M. Brader, J. Chem. Phys. 138, 214101 (2013)] is reworked in some detail with a view to clarifying and simplifying the logic and making explicit the various functional dependencies. We note various issues with the original development and suggest a modification that allows us to avoid them. In the process, we also suggest an alternative interpretation of our results, which bears surprising similarities to classical density functional theory.

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Source
http://dx.doi.org/10.1063/5.0055288DOI Listing

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