Abstract
Using the ideas of Lieb and Oxford [Int. J. Quantum Chem. 19, 427 (19810], we show that the exchange-correlation energy, and indirect part of the Coulomb energy, are bounded from below by -1.6358∫ρ^(4/3) (x)dx, where ρ(x) is the single-particle density.
Keywords
PhysicsEnergy (signal processing)CoulombBounded functionQuantumQuantum mechanicsMathematical physicsElectron
Affiliated Institutions
Related Publications
Improved lower bound on the indirect Coulomb energy
Abstract For a Coulomb system of particles of charge e , it has previously been shown that the indirect part of the repulsive Coulomb energy (exchange plus correlation energy) h...
Extension of the LAP functional to include parallel spin correlation
The kinetic energy density-dependent correlation functional LAP1 is extended to include parallel-spin correlation beyond the exchange level. Two exchange–correlation schemes are...
Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
A simple formulation of a generalized gradient approximation for the exchange and correlation energy of electrons has been proposed by Perdew, Burke, and Ernzerhof (PBE) [Phys. ...
Correlation Energy of an Electron Gas with a Slowly Varying High Density
The correlation energy (the exact energy minus the Hartree-Fock energy) of an electron gas with a high and slowly varying density is examined. The term proportional to the squar...
Gradient expansion of the exchange-energy density functional: Effect of taking limits in the wrong order
We show that if one uses a screened Coulomb potential V(K)=4\ensuremath{\pi}/(${K}^{2}$+${K}_{s}^{2}$) to calculate ${\ensuremath{\gamma}}_{x}$, the exchange-energy density-func...
Publication Info
- Year
- 1999
- Type
- article
- Volume
- 59
- Issue
- 4
- Pages
- 3075-3077
- Citations
- 85
- Access
- Closed
External Links
Social Impact
Altmetric
PlumX Metrics
Social media, news, blog, policy document mentions
Citation Metrics
85
OpenAlex
Cite This
Garnet Kin‐Lic Chan,
Nicholas C. Handy
(1999).
Optimized Lieb-Oxford bound for the exchange-correlation energy.
Physical Review A
, 59
(4)
, 3075-3077.
https://doi.org/10.1103/physreva.59.3075
Identifiers
- DOI
- 10.1103/physreva.59.3075