Abstract
Complete active space self-consistent field followed by configuration interaction and relativistic configuration interaction calculations are carried out on the potential energy curves of (XeRb) + arising from Xe ( 1S 0) + Rb + ( 1S 0), Xe + ( 2P 3 2 ) + Rb ( 2S 1 2 ), Xe + ( 2P 1 2 ) + Rb( 1S 1 2 ), and Xe*( 3P) + Rb +( 1S) electronic states. Spectroscopic constants and potential energy curves thus obtained are used to interpret the fluorescence from ionic (Xe-Rb) + species excited by an electron beam. The nature of the various electronic states of (XeRb) + is analyzed.
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