Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

A Simple Example Thomas-Fermi Theory

After these abstract considerations, let us now consider one way in which one can make practical use of DFT. Assume we have specified our system (i.e. w(r) is known). Assume further that we have reliable approximations for C/[n] and T[ri. In principle, all one then has to do is to minimize the sum of kinetic, interaction and potential energies [Pg.359]

For a noninteracting system (specified by subscript s, for single particle ), the function ° (n) is known explicitly. [Pg.360]

The Thomas-Fermi approximation consists in combining (39) with (42) and minimizing the resulting energy functional [Pg.361]

The Thomas-Fermi approximation to the dielectric constant, which provides a simple description of static screening, is obtained by minimizing E [n with respect to n and linearizing the resulting relation between w(r) and n(r). It thus involves one more approximation (the linearization) compared with what is called the Thomas Fermi approximation in DFT. In two dimensions no linearization is required and both uses of the name Thomas-Fermi become equivalent.  [Pg.361]


See other pages where A Simple Example Thomas-Fermi Theory is mentioned: [Pg.359]   


SEARCH



Fermi theory

Simple example

Thomas-Fermi

Thomas-Fermi theory

© 2024 chempedia.info