Superexchange and electron correlations in alkali fullerides AC 60, A=K, Rb, Cs

Journal of Chemical Physics

Volumn 122, Issue 6, 2005, Pages

  Nikolaev, A V ^a   Michel, K H ^a  

^a UNIVERSITY OF ANTWERP   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI FULLERIDES; ALKALI-METAL ATOM; SPIN LATTICE RELAXATION; SUPEREXCHANGE INTERACTIONS;

CHARGE TRANSFER; CHEMICAL BONDS; ELECTRONS; GROUND STATE; PROBABILITY;

FULLERENES;

EID: 22944474909     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1844491     Document Type: Article

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70. 0(r) is normalized to 240 electrons. The other 120 electrons simply compensate the charge of 60 carbon nuclei.