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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.
Exchange interactions are a manifestation of the quantum mechanical nature of the electrons and play a key role in predicting the properties of materials from first principles. In density functional theory (DFT), a widely used approximation to the ex
We discuss the relationship between modern time-dependent density functional theory and earlier time-period
Density-functional theory (DFT) has revolutionized computational prediction of atomic-scale properties from first principles in physics, chemistry and materials science. Continuing development of new methods is necessary for accurate predictions of n
Due to their current and future technological applications, including realisation of water filters and desalination membranes, water adsorption on graphitic sp$^{2}$-bonded carbon is of overwhelming interest. However, these systems are notoriously ch
A curious behavior of electron correlation energy is explored. Namely, the correlation energy is the energy that tends to drive the system toward that of the uniform electron gas. As such, the energy assumes its maximum value when a gradient of densi