Extrapolation to the complete-basis-set limit and the implications of avoided crossings: The X1 σg+, B 1Δg, and B′1 σ g+ states of C2

Journal of Chemical Physics

Volumn 129, Issue 23, 2008, Pages

  Varandas, A J C ^a  

^a UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELECTRONIC STATES; SULFUR COMPOUNDS;

ADIABATIC STATES; AVOIDED CROSSINGS; BASIS SETS; CORRELATION ENERGIES; DYNAMICAL CORRELATIONS; EXPERIMENTAL DATUMS; EXTRAPOLATION SCHEMES; GROUND ELECTRONIC STATES; MULTIREFERENCE CONFIGURATION INTERACTIONS; SPIN SYMMETRIES;

EXTRAPOLATION;

EID: 57849098090     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3036115     Document Type: Article

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