Ground state isoconfigurational mixing in the V2, VNb, and Nb2 molecules

Journal of Chemical Physics

Volumn 113, Issue 6, 2000, Pages 2203-2213

  O'Brien, Ted A ^a   Albert, Katrin ^a,b   Zerner, Michael C ^a  

^a UNIVERSITY OF FLORIDA   (United States)

^b Basycon Unternehmensheratung GmbH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON BEAMS; GROUND STATE; MATHEMATICAL MODELS; MATRIX ALGEBRA; MOLECULAR SPECTROSCOPY; NIOBIUM; PERTURBATION TECHNIQUES; VANADIUM; VANADIUM COMPOUNDS;

ANTIBONDING MOLECULAR ORBITALS; COMPLETE ACTIVE SPACE SELF CONSISTENT FIELDS (CASSCF); ELECTRON CORRELATION; GROUND STATE ISOCONFIGURATIONAL MIXING; MULTIREFERENCE CONFIGURATION INTERACTION (MRCI) CALCULATIONS; SPIN ORBIT SPLITTING; STATE WAVE FUNCTIONS;

ELECTRON TRANSITIONS;

EID: 0034251302     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.482034     Document Type: Article

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