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Comment on “Accurate frozen-density embedding potentials as a first step towards a subsystem description of covalent bonds” [J. Chem. Phys.132, 164101 (2010)]
4. T. A. Wesolowski, “One-electron equations for embedded electron density: Challenge for theory and practical payoffs in multi-level modelling of complex polyatomic systems,” in Computational Chemistry: Reviews of Current Trends, Vol. 10, edited by J. Leszczynski (World Scientific, Singapore, 2006), pp. 1–82.
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Several assertions which are incorrect or might be misleadingly interpreted as well as omissions of issues concerning the non-additive kinetic energy potential made by Fux et al. are analyzed. They concern issues of great importance for any computational method based on the orbital-free embedding theory: evaluation of the total energy, approximating the non-additive kinetic potential, exact properties of non-additive kinetic energy potential. In a nutshell, the authors do not distinguish between two different quantities: the functional, i.e., the correspondence assigning the non-additive kinetic potential to a pair of electron densities and the function (the potential itself).
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