The group 12 metal chalcogenides: an accurate multireference configuration interaction and coupled cluster study

Molecular Physics

Volumn 105, Issue 4, 2007, Pages 445-461

  Peterson, K A ^a   Shepler, B C ^a   Singleton, J M ^a  

^a WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STATES; FUNCTION EVALUATION; GROUND STATE; MOLECULAR DYNAMICS; MOLECULAR ORBITALS; POTENTIAL ENERGY;

COMPLETE BASIS SET (CBS); DISSOCIATION ENERGIES; MULTIREFERENCE CONFIGURATION INTERACTION (MRCI); POTENTIAL FUNCTIONS; SPECTROSCOPIC CONSTANTS;

CHALCOGENIDES;

EID: 33947423286     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970701241664     Document Type: Article

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