Abstract
A comparison is made between traditional quantum chemical approaches to the electron correlation problem and the one taken in density functional theory (DFT). Well-known concepts of DFT, such as the exchange-correlation energy E
Keywords
Density functional theoryElectronic correlationCoulombCorrelationElectronQuantum mechanicsOrbital-free density functional theoryKinetic energyPhysicsElectron densityWave functionAtomic orbitalQuantumQuantum chemicalHybrid functionalAtomic physicsStatistical physicsChemistryMathematicsMoleculeGeometry
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Publication Info
- Year
- 1997
- Type
- article
- Volume
- 101
- Issue
- 30
- Pages
- 5383-5403
- Citations
- 627
- Access
- Closed
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Cite This
Evert Jan Baerends,
O. V. Gritsenko
(1997).
A Quantum Chemical View of Density Functional Theory.
The Journal of Physical Chemistry A
, 101
(30)
, 5383-5403.
https://doi.org/10.1021/jp9703768
Identifiers
- DOI
- 10.1021/jp9703768