Title




Fermion particle density equations in relation to relativistic density functional theory
 
Author




 
Abstract




Relativistic density functional theory goes back at least to the work of Vallarta and Rosen. This represents the generalization of the ThomasFermi method to embody the kinetic energy of an electron of momentum p and rest mass m, as given by special relativity theory in the chemical potential Euler equation. Here we set up a relativistic density functional theory by heuristic arguments that start from wellestablished exact nonrelativistic differential equations for the Fermion density n(r) in model systems. We focus first on the differential equation of Lawes and March for onedimensional harmonic confinement. Into their result we introduce the finiteness of the velocity of light c by replacing the LawesMarch differential equation for the Fermion density n(x) by a difference equation for the relativistic Fermion density in which the Compton wavelength h/m(0)c, with m(0) the Fermion rest mass, plays an important role. As we take the nonrelativistic limit c > infinity, we regain the exact nonrelativistic result. Contact is then established with the VallartaRosen treatment in the limit when a large number N of Fermions are harmonically confined. The remaining models investigated are twoelectron in character. Relativistic difference equations to determine the density are again presented, for two such models. (C) 2004 Wiley Periodicals, Inc. 
 
Language




English
 
Source (journal)




International journal of quantum chemistry.  New York, N.Y.
 
Source (book)




10th International Conference on the Applications of Density Functional, Theory in Chemistry and Physics, SEP 0512, 2003, Brussels, BELGIUM
 
Publication




New York, N.Y.
:
2005
 
ISSN




00207608
 
Volume/pages




101
:6
(2005)
, p. 651657
 
ISI




000226910200003
 
Full text (Publisher's DOI)




 
Full text (publisher's version  intranet only)




 
