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Kinetic energy density in terms of electron density for closed‐shell atoms in a bare Coulomb field
Author(s) -
Amovilli C.,
March N. H.
Publication year - 1998
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/(sici)1097-461x(1998)66:4<281::aid-qua3>3.0.co;2-r
Subject(s) - kinetic energy , coulomb , density functional theory , electron , atomic physics , electron density , physics , ground state , orbital free density functional theory , local density approximation , quantum mechanics
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 ρ( r ). Here, t ( r ) is written explicitly in terms of ρ( r ) for an arbitrary number of closed shells in a bare Coulomb field. In the limit as →∞, closed results for t ( r ) follow from the earlier analysis of ρ( r ) by Heilmann and Lieb. [Phys. Rev. A 52 , 3628 (1995)]. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 66 : 281–283, 1998
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