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Keywords:

  • transition probability;
  • avoided crossing;
  • excited states

Abstract

Landau–Zener Theory for avoided crossings is applied here to obtain the transition probabilities (TPs) for the lowest Gallium–Silane excited states. Considering that silane orbits the gallium atom when the insertion angle θ is used as the reaction parameter, the translational energy is for this purpose irrelevant. The nonadiabatic TP depends on the angular velocity; hence, the inertia moment is more pertinent than the mass. Avoided crossings of the two lower A′ potential energy surfaces of Ga(2P,2S) + SiH4 interactions have to be taken into account. The TP of the excited system HGaSiH3 leading from one potential energy surface to another through an avoided crossing is then calculated. TPs for gallium–silane interaction are predicted using this novel approach. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007