Nearsightedness of electronic matter

被引:383
作者
Prodan, E [1 ]
Kohn, W
机构
[1] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA
[2] Univ So Calif, Dept Mat Sci, Los Angeles, CA 90089 USA
关键词
density of particles; electronic structure; energy density; linear scaling;
D O I
10.1073/pnas.0505436102
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
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, such as the density n(r), depend significantly on the effective external potential only at nearby points. Changes of that potential, no matter how large, beyond a distance R have limited effects on local electronic properties, which rapidly tend to zero as a function of R. In the present paper, the concept is first sharpened for representative models of uncharged fermions moving in external potentials, and then the effects of electron-electron interactions and of perturbing external charges are discussed.
引用
收藏
页码:11635 / 11638
页数:4
相关论文
共 24 条
[1]   CHEMICAL BOND IN MOLECULAR QUANTUM MECHANICS [J].
ALLEN, TL ;
SHULL, H .
JOURNAL OF CHEMICAL PHYSICS, 1961, 35 (05) :1644-&
[3]  
BEIGI SI, 1999, PHYS REV LETT, V82, P2127
[4]  
DESCLOIZEAUX J, 1964, PHYS REV, V135, pA698
[5]   A NEW METHOD FOR THE EVALUATION OF ELECTRIC CONDUCTIVITY IN METALS [J].
EDWARDS, SF .
PHILOSOPHICAL MAGAZINE, 1958, 3 (33) :1020-1031
[6]  
Fermi E., 1927, Rend. Accad. Naz. Lincei, V6, P602
[7]  
FRIEDEL J, 1952, PHILOS MAG, V43, P153
[8]   Exponential decay properties of Wannier functions and related quantities [J].
He, LX ;
Vanderbilt, D .
PHYSICAL REVIEW LETTERS, 2001, 86 (23) :5341-5344
[9]   ON GENERAL THEORY OF SURFACE STATES AND SCATTERING OF ELECTRONS IN SOLIDS [J].
HEINE, V .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1963, 81 (520) :300-&
[10]   WANNIER FUNCTIONS IN A SIMPLE NONPERIODIC SYSTEM [J].
KOHN, W ;
ONFFROY, JR .
PHYSICAL REVIEW B, 1973, 8 (06) :2485-2495