The adiabatic connection method: a non-empirical hybrid (bibtex)

by Kieron Burke, Ernzerhof, Matthias and John P. Perdew

Abstract:

For systems in which generalized gradient approximations (GGAs) work better for exchange-correlation energies than for exchange alone, a simple hybrid of GGA energies with the exact exchange energy is derived which improves the GGA result. A criterion is given which shows when this hybrid makes the greatest improvement. Results for molecules are given, showing that multiply bonded systems are most improved.

DOI link

Reference:

The adiabatic connection method: a non-empirical hybrid Kieron Burke, Ernzerhof, Matthias and John P. Perdew, Chemical Physics Letters 265, 115 - 120 (1997).

Bibtex Entry:

@article{BEP97,
	Pub-num = {036},
	Abstract = {For systems in which generalized gradient approximations (GGAs) work better for exchange-correlation energies than for exchange alone, a simple hybrid of GGA energies with the exact exchange energy is derived which improves the GGA result. A criterion is given which shows when this hybrid makes the greatest improvement. Results for molecules are given, showing that multiply bonded systems are most improved.},
	Author = {Kieron Burke and Ernzerhof, Matthias and John P. Perdew},
	Date-Modified = {2013-02-12 00:16:04 +0000},
	Doi = {10.1016/S0009-2614(96)01373-5},
	Issn = {0009-2614},
	Journal = {Chemical Physics Letters},
	Number = {1-2},
	Pages = {115 - 120},
	Title = {The adiabatic connection method: a non-empirical hybrid},
	Url = {http://www.sciencedirect.com/science/article/pii/S0009261496013735},
	Volume = {265},
	Year = {1997},
	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0009261496013735},
	Bdsk-Url-2 = {http://dx.doi.org/10.1016/S0009-2614(96)01373-5}}