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 are calculated using the newly obtained ab initio potential curves for these species. The radial Schrödinger equation for nuclear motion was solved numerically with the calculated potentials to evaluate the corresponding vibrational levels and radial wavefunctions for the ground X(1)0+ and excited A(3)0+ and B(3)1 states of the Zn-RG complexes. The wavefunctions have been subsequently used in the calculation of the appropriate Franck-Condon factors to yield information on relative intensities of the vibrational bands produced by A(3)0+ <-- X(1)0+ and B(3)1 <-- X(1)0+ transitions.
Czuchaj
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Institute of Theoretical Physics and Astrophysics, University of Gdańsk, Poland. czu@iftia.univ.gda.pl
Krośnicki
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D004583:Electrons; D008956:Models, Chemical; D008962:Models, Theoretical; D005741:Noble Gases / Q000737:chemistry*; D013057:Spectrum Analysis; D013816:Thermodynamics; D014732:Vibration; D015032:Zinc / Q000737:chemistry*
D005741:Noble Gases; D015032:Zinc