@article {2689,
	title = {Perturbative total energy evaluation in self-consistent field Iterations: Tests on molecular systems},
	journal = {J. Chem. Phys.},
	volume = {130},
	number = {14},
	year = {2009},
	note = {ISI Document Delivery No.: 439HCTimes Cited: 0Cited Reference Count: 24Zhang, Yu Adam Wang, Yan Alexander},
	month = {Apr},
	pages = {144116},
	type = {Article},
	abstract = {<p>The corrected Hohenberg-Kohn-Sham and corrected Harris total energy functionals recently proposed [B. Zhou and Y. A. Wang, J. Chem. Phys. 128, 084101 (2008)] have been generalized to the Hartree-Fock method. We have tested the functionals on a few molecular systems and found them to be very useful in accelerating the convergence of the total energy during a self-consistent field process.</p>},
	keywords = {AB-INITIO, CRC, density, density functional theory, ELECTRON-GAS, EXTREMAL PROPERTIES, HF calculations, iterative methods, PERTURBATION THEORY, SCF calculations, SOLIDS, total energy},
	isbn = {0021-9606},
	url = {<Go to ISI>://000265617200018},
	author = {Zhang, Y. A. and Y. A. Wang*}
}
