Incorrect diatomic dissociation in variational reduced density matrix theory arises from the flawed description of fractionally charged atoms

Physical Chemistry Chemical Physics

Volumn 11, Issue 27, 2009, Pages 5558-5560

  Van Aggelen, Helen ^a   Bultinck, Patrick ^a   Verstichel, Brecht ^a   Van Neck, Dimitri ^a   Ayers, Paul W ^b  

^a GHENT UNIVERSITY   (Belgium)

^b MCMASTER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 67651110343     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b907624g     Document Type: Article

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