4.2 Article

Theoretical study of the electronic states of the Rb2 molecule

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JOURNAL OF MOLECULAR SPECTROSCOPY
卷 207, 期 2, 页码 129-135

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ACADEMIC PRESS INC
DOI: 10.1006/jmsp.2001.8337

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We have calculated the electronic states of Rb-2 by multireference configuration interactions using the averaged relativistic effective small-core potential and the core-polarization potential. The potential energy curves for a large number of states dissociating into from 5s + 5s up to 7s + 5s asymptotic limits are calculated and the spectroscopic constants are reported. The spin-orbit effects for the states dissociating into 5p + 5s and 4d + 5s are calculated using the effective spin-orbit potential. The results are compared with available experimental data and other theoretical works. (C) 2001 Academic Press.

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