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arXiv · 2104.10008

Reconsidering Power Functional Theory

James F. Lutsko·Martin Oettel
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Abstract

The original derivation of Power Functional Theory, Schmidt and Brader, JCP 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 that bears surprising similarities to classical Density Functional Theory.

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James F. Lutsko, Martin Oettel. 2021-08-10. Reconsidering Power Functional Theory. https://doi.org/10.1063/5.0055288

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