Theoretical prediction of A(3)0(+)<- X(1)0(+) and B(3)1 <- X(1)0(+) spectra of the Zn-rare gas van der Waal's molecules

Excitation spectra arising from A(3)0(+) <-- X(1)0(+) and B(3)1 <-- X(1)0() electronic transitions in the Zn-rare gas (RG) van der Waal's molecules a re calculated using the newly obtained ab initio potential curves for these species. The radial Schrodinger equation for nuclear motion was solved num erically with the calculated potentials to evaluate the corresponding vibra tional levels and radial wavefunctions for the ground X10+ and excited A(3) 0(+) and B(3)1 states of the Zn-RG complexes. The wavefunctions have been s ubsequently used in the calculation of the appropriate Franck-Condon factor s to yield information on relative intensities of the vibrational bands pro duced by A(3)0(+) <-- X(1)0(+) and B(3)1 <-- X(1)0(+) transitions. (C) 2001 Elsevier Science B.V. All rights reserved.