Tight-binding parameterization of transition and noble metal clusters

International Journal of Quantum Chemistry

Volumn 99, Issue 5 SPEC. ISS., 2004, Pages 654-666

  Fortunelli, Alessandro ^a   Velasco, Ana Marìa ^a,b  

^a CNR   (Italy)

^b UNIVERSITY OF VALLADOLID   (Spain)

Author keywords

Band directionality; Fitting procedure; Kohn Sham operator; One electron spectrum; Orbital relaxation

Indexed keywords

BINDING ENERGY; CHEMICAL BONDS; ELECTRONS; MATRIX ALGEBRA; NICKEL; OXIDATION; PROBABILITY DENSITY FUNCTION; RELAXATION PROCESSES;

BAND DIRECTIONALITY; FITTING PROCEDURE; KOHN-SHAM OPERATOR; ONE-ELECTRON SPECTRUM; ORBITAL RELAXATION;

TRANSITION METALS;

EID: 4444221936     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10850     Document Type: Conference Paper

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