Improving energies by using exact electron densities
- 1 May 1996
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 53 (5) , R2915-R2917
- https://doi.org/10.1103/physreva.53.r2915
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
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