Abstract
The exact electronic ground-state density and external potential are used to improve the accuracy of approximate density functionals. Our approach combines the advantages that the exact exchange-correlation energy functional is more local for full-coupling strength than for the coupling-constant average, and that knowledge of the exact virial can be used to reduce the exchange energy error by a factor of 2.
Keywords
PhysicsVirial theoremExact solutions in general relativityCoupling constantCoupling (piping)Ground stateEnergy (signal processing)Coupling strengthStatistical physicsConstant (computer programming)Density functional theoryElectronEnergy densityQuantum mechanicsCondensed matter physicsTheoretical physics
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Publication Info
- Year
- 1996
- Type
- article
- Volume
- 53
- Issue
- 5
- Pages
- R2915-R2917
- Citations
- 32
- Access
- Closed
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Cite This
Kieron Burke,
John P. Perdew,
Mel Levy
(1996).
Improving energies by using exact electron densities.
Physical Review A
, 53
(5)
, R2915-R2917.
https://doi.org/10.1103/physreva.53.r2915
Identifiers
- DOI
- 10.1103/physreva.53.r2915