Binding energies of the ground triplet state a{sup 3}Σ{sub u}{sup +} of Rb{sub 2} and Cs{sub 2} in terms of the generalized Le Roy–Bernstein near-dissociation expansion

Journal Article · Mon Apr 07 00:00:00 EDT 2014 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4869981· OSTI ID:22253304

Sovkov, V. B.; Ivanov, V. S. ^[1]

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1. V.A. Fock Institute of Physics and Department of Physics of St. Petersburg State University, Ulyanovskaya Street 1, Petrodvoretz, St. Petersburg 198504 (Russian Federation)

Formulae of Le Roy–Bernstein near-dissociation theory are derived in a general isotope–invariant form, applicable to any term in the rotational expansion of a diatomic ro-vibrational term value. It is proposed to use the generalized Le Roy–Bernstein expansion to describe the binding energies (ro-vibrational term values) of the ground triplet state a{sup 3}Σ{sub u}{sup +} of alkali metal dimers. The parameters of this description are determined for Rb{sub 2} and Cs{sub 2} molecules. This approach gives a recipe to calculate the whole variety of the binding energies with characteristic accuracies from ∼1 × 10{sup −3} to 1 × 10{sup −2} cm{sup −1} using a relatively simple algebraic equation.

• OSTI ID: 22253304
• Journal Information: Journal of Chemical Physics, Vol. 140, Issue 13; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ACCURACY
ALKALI METALS
BINDING ENERGY
CARBON SULFIDES
DIMERS
DISSOCIATION
EXPANSION
TRIPLETS