Kohn-Sham equations Jellium model

Fermi-level DOS 115 Jellium model 92—97 failures 97 schematic 94 surface energy 96 surface potential 93 work function 96 Johnson noise 252 Kohn-Sham equations 113 Kronig-Penney model 99 Laplace transforms 261, 262, 377 and feedback circuits 262 definition 261 short table 377 Lateral resolution... 

Clemenger s model is, however, non-selfconsistent. Ekardt and Penzar [41,4.3] have extended the jellium mode to account for spheroidal deformations. In this model the ionic background is represented by a distribution of positive charge with constant density and a distorted, spheroidal, shape. The advantage with respect to Clemenger s model is that the spheroidal jellium model is parameter-free and that the calculation of the electronic wave functions is performed self-consistently using the density functional formalism. The distortion parameter is determined by solving the Kohn-Sham equations for different... 

The methodology focuses, as many density-functional schemes do, on the key role of the electron density. The Schrodinger equation is then solved self-consistently in the Kohn-Sham scheme.86 Initial approaches dealt with a jellium-adatom system, which would at first sight seem rather unchemical, lacking microscopic detail. But there is much physics in such an effective medium theory, and with time the atomic details at the surface have come to be modeled with greater accuracy. 

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