Comment on "Density and Physical Current Density Functional Theory" by Xiao-Yin Pan and Viraht Sahni, Int. J. Quant. Chem. 110, 2833 (2010)
G. Vignale, C. A. Ullrich, and Klaus Capelle

TL;DR
This paper critiques a previous formulation of physical current density functional theory, arguing it is a flawed reformulation that complicates the variational principle and the construction of the universal functional.
Contribution
It clarifies that the criticized formulation is a misrepresentation of established current-density functional theory, highlighting potential errors and conceptual issues.
Findings
The formulation is a garbled reformulation of Vignale-Rasolt theory.
It complicates the variational principle.
It hampers the construction of the universal functional.
Abstract
This comment criticizes the above paper by Xiao-Yin Pan and Viraht Sahni. It is shown that their formulation of "Physical Current Density Functional Theory" is, at best, a garbled reformulation of the Vignale-Rasolt current-density functional theory, and, at worst, a potential source of mistakes insofar as it complicates the formulation of the variational principle and prevents the constrained search construction of the universal functional.
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Taxonomy
TopicsHistory and advancements in chemistry · Computational Drug Discovery Methods · Chemical Thermodynamics and Molecular Structure
