Title 



Towards an exact orbitalfree singleparticle kinetic energy density for the inhomogeneous electron liquid in the Be atom
 
Author 



 
Abstract 



Holas and March [Phys. Rev. A51, 2040 (1995)] wrote the gradient of the onebody potential V(r) in terms of loworder derivatives of the idempotent Dirac density matrix built from a single Slater determinant of KohnSham orbitals. Here, this is first combined with the study of Dawson and March [J. Chem. Phys. 81, 5850 (1984)] to express the singleparticle kinetic energy density of the Be atom groundstate in terms of both the electron density n(r) and potential V(r). While this is the more compact formulation, we then, by removing V(r), demonstrate that the ratio t(r)/n(r) depends, though nonlocally, only on the single variable n0(r)/n(r), no highorder gradients entering for the spherical Be atom.   
Language 



English
 
Source (journal) 



Physics and chemistry of liquids.  London  
Publication 



London : 2011
 
ISSN 



00319104
 
Volume/pages 



49:5(2011), p. 693697
 
ISI 



000299701600013
 
Full text (Publisher's DOI) 


  
