[119] Reconsidering power functional theory

James F. Lutsko and Martin Oettel "Impact of Surface Roughness on Crystal Nucleation", J. Chem. Phys., 155, 094901 (2021); doi:10.1063/5.0055288 http://jimlutsko.github.io/files/Lutsko_JCP_2021.pdf

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.