Browsing Physics & Atmospheric Science Faculty Research, Publications and Presentations by Subject "Density functional theory"
Now showing items 1-4 of 4
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Adsorbate densities and surface potentials of physisorbed systems: A density-functional approach
A density-functional approach for the calculation of the density of particles adsorbed on the surface of a solid is explored including the adparticle two-body interaction. The coverages and effective surface potentials so ... -
Comment on `Quantum-mechanical interpretation of the exchange-correlation potential of Kohn-Sham density-functional theory'
For original paper see M.K. Harbola and V. Sahni, ibid., vol.62, p.489 (1989). Harbola and Sahni suggested a procedure for constructing the exchange-correlation potential that enters the Kohn-Sham single-particle equations. ... -
Nonlocal exchange energy of many-fermion systems of arbitrary dimensionality and interparticle interaction
The exchange contributions to the ground-state energy of an inhomogeneous many-fermion system of arbitrary dimensionality are calculated. Explicit results are given for both the local-density approximation and the lowest-order ... -
Spin-dependent transport in Fe and Fe/Au multilayers
In situ resistance measurements of epitaxial Fe layers and Au/Fe bilayers were used to quantify the scattering in giant magnetoresistance (GMR) spin valve structures. The semiclassical Boltzmann transport equation, ...