The topological features of the intracule density of the uniform electron gas

Citation
X. Fradera et al., The topological features of the intracule density of the uniform electron gas, CHEM P LETT, 304(5-6), 1999, pp. 393-398
Citations number
25
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
304
Issue
5-6
Year of publication
1999
Pages
393 - 398
Database
ISI
SICI code
0009-2614(19990507)304:5-6<393:TTFOTI>2.0.ZU;2-1
Abstract
The Laplacian of the self-consistent-field radial intracule density of the uniform electron gas has been analyzed. It reaches its absolute maximum at the electron-electron coalescence point with a value of 0.3 rho(2), where r ho is the electron charge density. Then, it decreases as the interlectronic distance increases and has an attenuated oscillatory decay at larger dista nces. Further examination of this function yields an onion-like representat ion of the spatial structure of the uniform electron gas from the viewpoint of an arbitrary reference electron. Our calculations demonstrate that the radius of the first layer is 13.069r(s) and the remaining layers obey a sim ple relationship with respect to the layer number with a separation of 6.06 5r(s) between adjacent layers. (C) 1999 Elsevier Science B.V. All rights re served.