Premium
Behavior of the electron density near an impurity
Author(s) -
Adawi I.
Publication year - 1980
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560170418
Subject(s) - bohr radius , impurity , electron density , bohr model , radius , atomic physics , electron , fermi gas , chemistry , dielectric , density functional theory , condensed matter physics , physics , computational chemistry , quantum mechanics , computer security , organic chemistry , computer science
The behavior of the electron density n ( r ) and potential energy V ( r ) near the origin, where an impurity of charge Z is located, is studied using the Lindhard dielectric theory of the free‐electron gas. The leading odd terms in the power‐series expansion of n ( r ) and V ( r ) are obtained. It is shown that the derivative n ′(0) = −2 Zn 0 / a 0 , where n 0 is the free‐electron gas density and a 0 is the Bohr radius.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom