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Nearsightedness of Electronic Matter

Domenii publicaţii > Fizica + Tipuri publicaţii > Articol în revistã ştiinţificã

Autori: E. Prodan and W. Kohn

Editorial: PNAS, 102, p.11635-1163, 2005.

Rezumat:

In an earlier paper, W. Kohn had qualitatively introduced the
concept of „nearsightedness” of electrons in many-atom systems. It
can be viewed as underlying such important ideas as Pauling’s
„chemical bond,” „transferability” and Yang’s computational
principle of „divide and conquer.” It describes the fact that, for
fixed chemical potential, local electronic properties, like the
density $n(r)$, depend significantly on the effective external
potential only at nearby points. Changes of that potential, {it no
matter how large}, beyond a distance $ extsf{R}$ have {it limited}
effects on local electronic properties, which rapidly tend to zero
as function of $ extsf{R}$. In the present paper, the concept is
first sharpened for representative models of uncharged fermions
moving in external potentials, followed by a discussion of the
effects of electron-electron interactions and of perturbing external
charges.

Cuvinte cheie: density of particles, linear scaling, electronic structure