Exchange and correlation energy in density functional theory. Comparison of accurate DFT quantities with traditional Hartree-Fock based ones and generalized gradient approximations for the molecules Li2, N2, F2.

O.V. Gritsenko; P.R.T. Schipper; E.J. Baerends

doi:10.1063/1.474864

Exchange and correlation energy in density functional theory. Comparison of accurate DFT quantities with traditional Hartree-Fock based ones and generalized gradient approximations for the molecules Li2, N2, F2.

O.V. Gritsenko
, P.R.T. Schipper
, E.J. Baerends

Research output: Contribution to Journal › Article › Academic › peer-review

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Original language	English
Pages (from-to)	5007
Journal	Journal of Chemical Physics
Volume	107
DOIs	https://doi.org/10.1063/1.474864
Publication status	Published - 1997

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@article{b19765beda2d4a3688b0803a8770fdbb,

title = "Exchange and correlation energy in density functional theory. Comparison of accurate DFT quantities with traditional Hartree-Fock based ones and generalized gradient approximations for the molecules Li2, N2, F2.",

author = "O.V. Gritsenko and P.R.T. Schipper and E.J. Baerends",

year = "1997",

doi = "10.1063/1.474864",

language = "English",

volume = "107",

pages = "5007",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

}

Exchange and correlation energy in density functional theory. Comparison of accurate DFT quantities with traditional Hartree-Fock based ones and generalized gradient approximations for the molecules Li2, N2, F2. / Gritsenko, O.V.; Schipper, P.R.T.; Baerends, E.J.
In: Journal of Chemical Physics, Vol. 107, 1997, p. 5007.

Research output: Contribution to Journal › Article › Academic › peer-review

TY - JOUR

T1 - Exchange and correlation energy in density functional theory. Comparison of accurate DFT quantities with traditional Hartree-Fock based ones and generalized gradient approximations for the molecules Li2, N2, F2.

AU - Gritsenko, O.V.

AU - Schipper, P.R.T.

AU - Baerends, E.J.

PY - 1997

Y1 - 1997

U2 - 10.1063/1.474864

DO - 10.1063/1.474864

M3 - Article

SN - 0021-9606

VL - 107

SP - 5007

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

ER -