Abstract
The density-functional theory relates the ground-state properties of an $N$-electron system to a universal functional of the charge density. In this paper we discuss a functional which avoids the problems of the Hohenberg-Kohn theory. We show that this functional can be calculated exactly, at least in principle. We present an upper bound for this functional, which is applied to the case $N=1$ and to the jellium problem. This upper bound is exact for $N=1$.
Keywords
JelliumDensity functional theoryFunctional theoryOrbital-free density functional theoryPhysicsGround stateBound stateTime-dependent density functional theoryUpper and lower boundsQuantum mechanicsCharge (physics)State (computer science)ElectronStatistical physicsMathematicsMathematical analysisAlgorithm
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Publication Info
- Year
- 1983
- Type
- article
- Volume
- 28
- Issue
- 2
- Pages
- 544-554
- Citations
- 114
- Access
- Closed
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Cite This
Gil Zumbach,
Klaus Maschke
(1983).
New approach to the calculation of density functionals.
Physical review. A, General physics
, 28
(2)
, 544-554.
https://doi.org/10.1103/physreva.28.544
Identifiers
- DOI
- 10.1103/physreva.28.544