Simple Three-Parameter Model Potential for Diatomic Systems: From Weakly and Strongly Bound Molecules to Metastable Molecular Ions
- Institute for Quantum Studies and Departments of Physics and Chemical Engineering, Texas A and M University, College Station, Texas 77843 (United States)
- Department of Chemistry and James Franck Institute, University of Chicago, Chicago, Illinois 60637 (United States)
Based on a simplest molecular-orbital theory of H{sub 2}{sup +}, a three-parameter model potential function is proposed to describe ground-state diatomic systems with closed-shell and/or S-type valence-shell constituents over a significantly wide range of internuclear distances. More than 200 weakly and strongly bound diatomics have been studied, including neutral and singly charged diatomics (e.g., H{sub 2}, Li{sub 2}, LiH, Cd{sub 2}, Na{sub 2}{sup +}, and RbH{sup -}), long-range bound diatomics (e.g., NaAr, CdNe, He{sub 2}, CaHe, SrHe, and BaHe), metastable molecular dications (e.g., BeH{sup ++}, AlH{sup ++}, Mg{sub 2}{sup ++}, and LiBa{sup ++}), and molecular trications (e.g., YHe{sup +++} and ScHe{sup +++})
- OSTI ID:
- 20771639
- Journal Information:
- Physical Review Letters, Vol. 95, Issue 26; Other Information: DOI: 10.1103/PhysRevLett.95.263202; (c) 2005 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 0031-9007
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ALUMINIUM HYDRIDES
ARGON COMPOUNDS
BERYLLIUM HYDRIDES
BOND LENGTHS
CADMIUM IONS
GROUND STATES
HELIUM
HELIUM COMPOUNDS
HYDROGEN
HYDROGEN IONS 2 PLUS
LITHIUM HYDRIDES
LITHIUM IONS
MAGNESIUM IONS
METASTABLE STATES
MOLECULAR IONS
MOLECULAR ORBITAL METHOD
POTENTIAL ENERGY
RUBIDIUM HYDRIDES
SODIUM COMPOUNDS
SODIUM IONS