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Frozen density ansatz

With the frozen density ansatz all terms in parenthesis in the last equation will be zero. The only contribution from F to the adsorption energy difference is therefore the non-local electrostatic energy,... [Pg.261]

In the same way, the frozen potential and density ansatz renders the net contribution from the nv integrals in the kinetic energy difference zero, and only the difference in the one-electron energies calculated with the frozen potentials outlined above will contribute to the kinetic energy contribution ... [Pg.261]

Equation (237) shows that when the coupling constant is larger than the critical value Xc = 1 the ansatz [Eq. (234)] leads to an acceptable solution. This implies that for X < 1, density fluctuations decay to zero for a long time but for X > 1 they decay to a finite value/. The value off increases from/ = 1/2 for X — 1 to / = 1 for X —> oo. Thus the spectrum of density fluctuation exhibits a delta function peak at zero frequency, with strength / which is the characteristic of a glassy phase. Thus in the glass phase the translational motion is frozen in and the vibrational motion around the arrested position is described by (z). [Pg.134]


See other pages where Frozen density ansatz is mentioned: [Pg.417]    [Pg.356]   
See also in sourсe #XX -- [ Pg.261 ]




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