Density functional study of the ionization potentials and electron affinities of small Nin clusters with n=2-6 and 8

Computational Materials Science

Volumn 31, Issue 3-4, 2004, Pages 292-298

  Michelini, M C ^a,b   Pis Diez, R ^a   Jubert, A H ^a  

^a UNIVERSIDAD NACIONAL DE LA PLATA   (Argentina)

^b UNIVERSITY OF CALABRIA   (Italy)

Author keywords

Cluster; Density functional theory; Electronic structure; Nickel

Indexed keywords

APPROXIMATION THEORY; ELECTRONIC STRUCTURE; GROUND STATE; IONIZATION; MATERIALS SCIENCE; MOLECULAR VIBRATIONS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION;

CLUSTERS; DENSITY FUNCTIONAL THEORY; ELECTRON AFFINITIES; IONIZATION POTENTIALS;

NICKEL METALLURGY;

EID: 7544240908     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2004.03.018     Document Type: Article

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