KINETIC-ENERGY DENSITY IN TERMS OF ELECTRON-DENSITY FOR CLOSED-SHELL ATOMS IN A BARE COULOMB FIELD

Citation
C. Amovilli et Nh. March, KINETIC-ENERGY DENSITY IN TERMS OF ELECTRON-DENSITY FOR CLOSED-SHELL ATOMS IN A BARE COULOMB FIELD, International journal of quantum chemistry, 66(4), 1998, pp. 281-283
Citations number
10
Categorie Soggetti
Chemistry Physical
ISSN journal
00207608
Volume
66
Issue
4
Year of publication
1998
Pages
281 - 283
Database
ISI
SICI code
0020-7608(1998)66:4<281:KDITOE>2.0.ZU;2-F
Abstract
A long-term aim in density functional theory is to obtain the kinetic energy density t(r) in terms of the ground-state electron density rho( r). Here, t(r) is written explicitly in terms of rho(r) for an arbitra ry number N of closed shells in a bare Coulomb field. In the limit as N --> infinity, closed results for t(r) follow from the earlier analys is of rho(r) by Heilmann and Lieb. [Phys. Rev. A 52, 3628 (1995)]. (C) 1998 John Wiley & Sons, Inc.