Diradicaloids: Description by the spin-restricted, ensemble-referenced kohn-sham density functional method

Journal of Physical Chemistry A

Volumn 104, Issue 28, 2000, Pages 6628-6636

  Filatov, Michael ^a   Shaik, Sason ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CORRELATION METHODS; ELECTRONIC STRUCTURE; GROUND STATE; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

DIRADICALOIDS; KOHN-SHAM DENSITY FUNCTIONAL METHOD;

MOLECULAR DYNAMICS;

EID: 0034229165     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0002289     Document Type: Article

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