Variational calculation of the global hardness and the Fukui function via an approximation of the hardness kernel

Polish Journal of Chemistry

Volumn 72, Issue 7 SUPPL., 1998, Pages 1737-1746

  De Proft, F ^a   Geerlings, P ^a   Liu, S ^b   Parr, R G ^b  

^a VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

^b University of North Carolina at Chapel Hill   (United States)

Author keywords

Density functional theory; Fukui function; Hardness; Hardness kernel; Hardness variational principle; Softness

Indexed keywords

EID: 0032335804     PISSN: 01375083     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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