Broken-symmetry unrestricted hybrid density functional calculations on nickel dimer and nickel hydride

Journal of Chemical Physics

Volumn 121, Issue 20, 2004, Pages 10026-10040

  Diaconu, Cristian V ^a   Cho, Art E ^a,c   Doll, J D ^a   Freeman, David L ^b  

^a BROWN UNIVERSITY   (United States)

^b University of Rhode Island   (United States)

^c Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION ENERGY; HARMONIC VIBRATIONAL FREQUENCIES; NICKEL HYDRIDES; POTENTIAL ENERGY SURFACES (PES);

DISSOCIATION; ELECTRONIC STRUCTURE; ERROR ANALYSIS; FREQUENCIES; GROUND STATE; NICKEL COMPOUNDS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

DIMERS;

EID: 10844287325     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1798992     Document Type: Article

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