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 (Publisher's DOI)




 
Full text (publisher's version  intranet only)




 
