Benchmark calculations of chemical reactions in density functional theory: comparison of the accurate Kohn-Sham solution with generalized gradient approximations for the H2+H and H2+H2 reactions.

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

doi:10.1063/1.479707

Benchmark calculations of chemical reactions in density functional theory: comparison of the accurate Kohn-Sham solution with generalized gradient approximations for the H2+H and H2+H2 reactions.

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

Theoretical Chemistry

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

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Original language	English
Pages (from-to)	4056-4067
Journal	Journal of Chemical Physics
Volume	111
DOIs	https://doi.org/10.1063/1.479707
Publication status	Published - 1999

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@article{ed88b177f41b4de8980dc9a81f213d91,

title = "Benchmark calculations of chemical reactions in density functional theory: comparison of the accurate Kohn-Sham solution with generalized gradient approximations for the H2+H and H2+H2 reactions.",

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

year = "1999",

doi = "10.1063/1.479707",

language = "English",

volume = "111",

pages = "4056--4067",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics Publising LLC",

}

Benchmark calculations of chemical reactions in density functional theory: comparison of the accurate Kohn-Sham solution with generalized gradient approximations for the H2+H and H2+H2 reactions. / Schipper, P.R.T.; Gritsenko, O.V.; Baerends, E.J.
In: Journal of Chemical Physics, Vol. 111, 1999, p. 4056-4067.

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

TY - JOUR

T1 - Benchmark calculations of chemical reactions in density functional theory: comparison of the accurate Kohn-Sham solution with generalized gradient approximations for the H2+H and H2+H2 reactions.

AU - Schipper, P.R.T.

AU - Gritsenko, O.V.

AU - Baerends, E.J.

PY - 1999

Y1 - 1999

U2 - 10.1063/1.479707

DO - 10.1063/1.479707

M3 - Article

SN - 0021-9606

VL - 111

SP - 4056

EP - 4067

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

ER -