Browsing Physics & Atmospheric Science Faculty Research, Publications and Presentations by Subject "Density functional theory"

Now showing items 1-4 of 4

  • Adsorbate densities and surface potentials of physisorbed systems: A density-functional approach 

    Payne, S. H., H. J. Kreuzer, and D. J. W. Geldart. 1987. "Adsorbate densities and surface potentials of physisorbed systems: A density-functional approach." Physical Review B (Condensed Matter) 35(18): 9489-93. Copyright © 1987 American Physical Society.
    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' 

    Rasolt, M., D. J. W. Geldart, M. K. Harbola, and V. Sahni. 1990. "Comment on `Quantum-mechanical interpretation of the exchange-correlation potential of Kohn-Sham density-functional theory'." Physical Review Letters 65(2): 276-7. Copyright © 1990 American Physical Society.
    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 

    Gumbs, G., and D. J. W. Geldart. 1986. "Nonlocal exchange energy of many-fermion systems of arbitrary dimensionality and interparticle interaction." Physical Review B (Condensed Matter) 34(10): 6847-52. Copyright © 1986 American Physical Society.
    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 

    Monchesky, T. L., A. Enders, R. Urban, K. Myrtle, et al. 2005. "Spin-dependent transport in Fe and Fe/Au multilayers." Physical Review B (Condensed Matter and Materials Physics) 71(21): 214440-1. doi:10.1103/PhysRevB.71.214440
    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, ...