Spectroscopic constants and molecular properties of rare-gas diatomic molecule in Lennard-Jones potential: Ab initio and density functional study

International Journal of Quantum Chemistry

Volumn 107, Issue 4, 2007, Pages 824-831

  Bera, N C ^a   Bhattacharyya, I ^a   Das, A K ^a  

^a DEPARTMENT OF MATERIALS SCIENCE   (India)

Author keywords

Ab initio; B3LYP study; Molecular properties; Rare gas diatomic molecules; Spectroscopic constants

Indexed keywords

HELIUM; NUMERICAL METHODS; PROBABILITY DENSITY FUNCTION;

B3LYP STUDY; LENNARD-JONES POTENTIAL; MOLECULAR PROPERTIES; RARE-GAS DIATOMIC MOLECULES; SPECTROSCOPIC CONSTANTS;

MOLECULAR STRUCTURE;

EID: 33846650257     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21214     Document Type: Article

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