The failure of generalized gradient approximations (GGAs) and meta-GGAs for the two-center three-electron bonds in He2+, (H2O)2+, and (NH3)2+

Journal of Physical Chemistry A

Volumn 105, Issue 40, 2001, Pages 9211-9218

  Gruning M ^a   Gritsenko, O V ^a   Van Gisbergen, S J A ^a   Baerends, E J ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

GENERALIZED GRADIENT APPROXIMATIONS (GGA);

ELECTRONS; HYDROGEN; PERTURBATION TECHNIQUES; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; SOLUTIONS;

CHEMICAL BONDS;

EID: 0035846428     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp011239k     Document Type: Article

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