On the ground and some low-lying excited states of ScB: A multiconfigurational study

Journal of Chemical Physics

Volumn 126, Issue 21, 2007, Pages

  Černušák, Ivan ^a   Dallos, Michal ^b   Lischka, Hans ^b   Müller, Thomas ^c   Uhlár, Milan ^a,d  

^a Faculty of Natural Sciences   (Slovakia)

^b UNIVERSITY OF VIENNA   (Austria)

^c FORSCHUNGSZENTRUM JÜLICH   (Germany)

^d SILESIAN UNIVERSITY IN OPAVA   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

HAMILTONIANS; MOLECULAR ORBITALS; POTENTIAL ENERGY; SCANDIUM COMPOUNDS; SET THEORY; SPECTROSCOPIC ANALYSIS;

DOUGLAS-KROLL-HESS HAMILTONIANS; MULTIREFERENCE CONFIGURATION INTERACTION (MRCI); QUADRUPOLE MOMENTS;

ELECTRONIC STRUCTURE;

EID: 34250019963     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2741522     Document Type: Article

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