On the diagnostic value of <Ŝ2> in Kohn-Sham density functional theory

Molecular Physics

Volumn 99, Issue 11, 2001, Pages 981-989

  Gräfenstein, Jürgen ^a   Cremer, Dieter ^a  

^a UNIVERSITY OF GOTHENBURG   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN; MAGNETIZATION; MOLECULES; ORGANIC COMPOUNDS;

HIGH SPIN MULTIPLET SYSTEMS; KOHN-SHAM DETERMINANT; SPIN MAGNETIZATION DENSITY; UNRESTRICTED DENSITY FUNCTIONAL THEORY;

PROBABILITY DENSITY FUNCTION;

EID: 0035838257     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970110041191     Document Type: Article

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