Rotational energy transfer in collisions of ammonia with rare gas atoms and H2

30th International Conference on Photonic, Electronic, and Atomic Collisions

Loreau, Jérôme^1 ; Van Der Avoird, Ad^2

Service de Chimie Quantique et Photophysique, Université Libre de Bruxelles (ULB), Brussels, Belgium^1

Theoretical Chemistry, Institute for Molecules and Materials, Radboud University, Nijmegen, Netherlands^2

关键词: Ab initio potential energy surface;    Close-coupling method;    Inelastic collision;    Molecular hydrogen;    Quantum mechanical;    Rare gas atoms;    Rotational energy transfer;    State of the art;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/875/11/102034/pdf
DOI  :  10.1088/1742-6596/875/11/102034

来源: IOP

【 摘 要 】

We investigate inelastic collisions of ammonia NH3and its isotopologue ND3with rare gas atoms or molecular hydrogen. We use state of the art ab initio potential energy surfaces to study the low energy dynamics of the collision by means of the quantum-mechanical close-coupling method. We discuss the experimental implications of our work.