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Reconsidering power functional theory
James F Lutsko1, Martin Oettel2
1Center for Nonlinear Phenomena and Complex Systems CP 231, Université Libre de Bruxelles, Blvd. du Triomphe, 1050 Brussels, Belgium.
Abstract:
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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