Title 



Local energy equation for twoelectron atoms and relation between kinetic energy and electron densities
 
Author 


  
Abstract 



In early work, Dawson and March [J. Chem. Phys. 81, 5850 (1984)] proposed a local energy method for treating both HartreeFock and correlated electron theory. Here, an exactly solvable model twoelectron atom with pure harmonic interactions is treated in its ground state in the above context. A functional relation between the kinetic energy density t(r) at the origin r=0 and the electron density rho(r) at the same point then emerges. The same approach is applied to the Hookean atom, in which the two electrons repel with Coulombic energy e(2)/r(12), with r(12) the interelectronic separation, but are still harmonically confined. Again the kinetic energy density t(r) is the focal point, but now generalization away from r=0 is also effected. Finally, brief comments are added about Helike atomic ions in the limit of large atomic number. (C) 2003 American Institute of Physics.   
Language 



English
 
Source (journal) 



The journal of chemical physics.  New York, N.Y.  
Publication 



New York, N.Y. : 2003
 
ISSN 



00219606
 
Volume/pages 



118:15(2003), p. 68466851
 
ISI 



000181945200015
 
Full text (Publishers DOI) 


  
Full text (publishers version  intranet only) 


  
