Issue |
EPL
Volume 98, Number 5, June 2012
|
|
---|---|---|
Article Number | 53002 | |
Number of page(s) | 5 | |
Section | Atomic, Molecular and Optical Physics | |
DOI | https://doi.org/10.1209/0295-5075/98/53002 | |
Published online | 12 June 2012 |
External field as the functional of inhomogeneous density and the density matrix functional approach
1
Joint Institute for High Temperatures, Russian Academy of Sciences - Izhorskaia St., 13, Bd. 2. Moscow 125412, Russia
2
Eindhoven University of Technology - P.O. Box 513, MB 5600 Eindhoven, The Netherlands, EU
3
State Academy of Transport Communications - Moscow, Russia
a
vic5907@mail.ru
b
satron@mail.ru
Received:
24
February
2012
Accepted:
14
May
2012
Based on the Hohenberg-Kohn lemma and the hypotheses of the density functional existence for the external-field potential, it is shown that the strict result of the density functional theory is the equation of the external-field potential as the density functional. This result leads to the impossibility of determining the inhomogeneous density in a given external field if the inhomogeneous density is not known a priori. The problem encountered is intimately associated with the absence of a regular procedure for determining the universal density functional. The result obtained shows the advantage of the density matrix functional theory which yields a correct description of the inhomogeneous electron system in both the ideal-gas approximation and the self-consistent Hartree-Fock approximation in contrast to the density functional theory.
PACS: 31.15.E- – Density-functional theory / 71.15.Mb – Density functional theory, local density approximation, gradient and other corrections / 52.25.-b – Plasma properties
© EPLA, 2012
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