Spin-orbit density functional theory calculations for IX (X=F, Cl, Br and I) molecules

Molecular Physics

Volumn 103, Issue 15-16, 2005, Pages 2117-2122

  Woo, Kyung Cho ^a   Yoon, Jeong Choi ^a   Yoon, Sup Lee ^a  

^a Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

Author keywords

Density functional theory; Interhalogen dimer; Relativistic effective core potentials; Spin orbit calculation

Indexed keywords

DISSOCIATION; MOLECULAR PHYSICS; SPECTROSCOPIC ANALYSIS;

DISSOCIATION ENERGIES; RELATIVISTIC EFFECTIVE CORE POTENTIALS; SPIN-ORBIT DENSITY FUNCTIONAL THEORY;

PROBABILITY DENSITY FUNCTION;

EID: 27844577376     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970500130936     Document Type: Article

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