Electronic ground states of the V2O4+/0/- species from multireference correlation and density functional studies

Journal of Chemical Physics

Volumn 120, Issue 9, 2004, Pages 4207-4215

  Pykavy, Mikhail ^a   Van Wüllen, Christoph ^a   Sauer, Joachim ^b  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

^b HUMBOLDT UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CORRELATION METHODS; ELECTRONIC STRUCTURE; GROUND STATE; IONIZATION; ISOMERIZATION; MOLECULAR STRUCTURE; NEGATIVE IONS; POSITIVE IONS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; RELAXATION PROCESSES; SET THEORY;

ELECTRON AFFINITIES; IONIZATION ENERGIES; MULTIFERENCE CORRELATION;

VANADIUM COMPOUNDS;

EID: 12144288993     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1643891     Document Type: Article

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