Improving energies by using exact electron densities (bibtex)

by Burke, Kieron, Perdew, John P. and Levy, Mel

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.

DOI link

Reference:

Improving energies by using exact electron densities Burke, Kieron, Perdew, John P. and Levy, Mel, Phys. Rev. A 53, R2915-R2917 (1996).

Bibtex Entry:

@article{BPL96,
	Pub-num = {025},
	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.},
	  title = {Improving energies by using exact electron densities},
	  author = {Burke, Kieron and Perdew, John P. and Levy, Mel},
	  journal = {Phys. Rev. A},
	  volume = {53},
	  issue = {5},
	  pages = {R2915-R2917},
	  year = {1996},
	  month = {May},
	  doi = {10.1103/PhysRevA.53.R2915},
	  url = {http://link.aps.org/doi/10.1103/PhysRevA.53.R2915},
	  publisher = {American Physical Society}
}