The ab initio potential energy surface (PES) already computed for the title system is employed here to study the behaviour of the collisional energy transfer processes over a broad range of energies. The quantum evaluation of rotationally and vibrationally inelastic partial integral cross sections is carried out under different angular momentum coupling conditions and the results are closely analysed in terms of the specific features of the coupling PES. State-to-state rate constants for excitation and relaxation processes are obtained in a broad range of temperatures and the overall efficiency of the collisional energy transfer is analysed. The cooperative effect between the rotational anisotropy and the vibrational excitations is clearly shown and discussed.

Interaction anisotropy and quantum dynamics for vibrationally inelastic collisions of LiH(1Σ) with He(1S)

FAMULARI, ANTONINO;
1998

Abstract

The ab initio potential energy surface (PES) already computed for the title system is employed here to study the behaviour of the collisional energy transfer processes over a broad range of energies. The quantum evaluation of rotationally and vibrationally inelastic partial integral cross sections is carried out under different angular momentum coupling conditions and the results are closely analysed in terms of the specific features of the coupling PES. State-to-state rate constants for excitation and relaxation processes are obtained in a broad range of temperatures and the overall efficiency of the collisional energy transfer is analysed. The cooperative effect between the rotational anisotropy and the vibrational excitations is clearly shown and discussed.
ab initio potential energy surface; collisional energy transfer processes; partial integral cross sections; Quantum dynamics; ibrationally inelastic collisions
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11311/660192
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