The failure of generalized gradient approximations (GGAs) and meta-GGAs for the two-center three-electron bonds in He-2(+), (H2O)(2)(+), and (NH3)(2)(+)

M. Gruning; O.V. Gritsenko; S.J.A. van Gisbergen; E.J. Baerends

doi:10.1021/jp011239k

The failure of generalized gradient approximations (GGAs) and meta-GGAs for the two-center three-electron bonds in He-2(+), (H2O)(2)(+), and (NH3)(2)(+)

M. Gruning
, O.V. Gritsenko
, S.J.A. van Gisbergen
, E.J. Baerends

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

Original language	English
Pages (from-to)	9211-9218
Journal	Journal of Physical Chemistry A
Volume	105
Issue number	40
DOIs	https://doi.org/10.1021/jp011239k
Publication status	Published - 2001

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10.1021/jp011239k

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Cite this

@article{128b139eb36e4fcb98311d167a8eada0,

title = "The failure of generalized gradient approximations (GGAs) and meta-GGAs for the two-center three-electron bonds in He-2(+), (H2O)(2)(+), and (NH3)(2)(+)",

author = "M. Gruning and O.V. Gritsenko and \{van Gisbergen\}, S.J.A. and E.J. Baerends",

year = "2001",

doi = "10.1021/jp011239k",

language = "English",

volume = "105",

pages = "9211--9218",

journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "40",

}

The failure of generalized gradient approximations (GGAs) and meta-GGAs for the two-center three-electron bonds in He-2(+), (H2O)(2)(+), and (NH3)(2)(+). / Gruning, M.; Gritsenko, O.V.; van Gisbergen, S.J.A. et al.
In: Journal of Physical Chemistry A, Vol. 105, No. 40, 2001, p. 9211-9218.

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

TY - JOUR

T1 - The failure of generalized gradient approximations (GGAs) and meta-GGAs for the two-center three-electron bonds in He-2(+), (H2O)(2)(+), and (NH3)(2)(+)

AU - Gruning, M.

AU - Gritsenko, O.V.

AU - van Gisbergen, S.J.A.

AU - Baerends, E.J.

PY - 2001

Y1 - 2001

U2 - 10.1021/jp011239k

DO - 10.1021/jp011239k

M3 - Article

SN - 1089-5639

VL - 105

SP - 9211

EP - 9218

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 40

ER -