AbstractAbstract
[en] Full text.By taking into consideration the spin-orbit effect, the potential energy has been calculated over a wide range of internuclear distance for numerous electronic states of symmetry 2□+, 2□, 2□ and Ω of the molecular ion RbCs+ and by using the package CIPSI (Configuration Interaction by Perturbation of multiconfiguration wave function Selected Iterative) of Laboratoire de Physique Quantique (Toulouse-France). This calculation is done by using an ab initio method based on non-empirical pseudopotentials, parameterized l-dependent polarization potentials. Molecular orbitals for the molecular ion RbCs+ were derived from Self Consistent Field calculations (SCF), and full valence Configuration Interaction (CI) calculations were performed. A rovibrational study is done by calculating the eigenvalues Ev, the rotational constant Bv, teh centrifugal distortion constant Dv (up to 120 vibrational levels) and the spectroscopic constants for four bound states 2Λ+ and Ω. To the best of our knowledge, neither theoretical noe experimental data are available in the literature for the molecular ion RbCs+. Extensive tables of energy values versus internuclear distance are displayed at the following address http:lasim.univ-lyon1.fr/allouche/mcs.htm
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The National Council for Scientific Research, Beirut (Lebanon); The Lebanese Association for the Advancement of Science, Beirut (Lebanon); 214 p; 2000; p. 209; 14. Science meeting; Beirut (Lebanon); 23-25 Nov 2000; Available in abstract form only, full text entered in this record. Available from INIS National Centre, National Council for Scientific Research, Beirut-Lebanon, acc.no. M3774
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Conference
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