What do the Kohn-Sham orbitals and eigenvalues mean?

Journal of the American Chemical Society

Volumn 121, Issue 14, 1999, Pages 3414-3420

  Stowasser, Ralf ^a   Hoffmann, Roald ^a  

^a Department of Molecular Biology and Genetics   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORIDE ION; CHROMIUM; HYDROGEN; NITROGEN; OXYGEN; WATER;

ATOMIC PARTICLE; CALCULATION; CHEMICAL ANALYSIS; ELECTRIC POTENTIAL; ELECTRON; ENERGY; IONIZATION; ORBIT; REVIEW;

EID: 0033553133     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9826892     Document Type: Review

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