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Reconsidering power functional theory
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DOI：10.1063/5.0055288.png)
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摘要
En 中文
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.& nbsp;Published under an exclusive license by AIP Publishing.
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IF:
3.1
论文数:
7.2W
被引数:
23.2W
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