Six-dimensional theoretical study of H2 scattering from LiF(001): From thermal to high incidence energies

29th International Conference on Photonic, Electronic, and Atomic Collisions

Muzas, A.S.^1 ; Díaz, C.^1 ; Martín, F.^1,2

Departamento de Química, Universidad Autónoma de Madrid, Módulo 13, Cantoblanco, Madrid

28049, Spain^1

Instituto Madrileño de Estudios Avanzado en Nanociencia (IMDEA-Nanociencia), Cantoblanco, Madrid

28049, Spain^2

关键词: Grazing incidence;    High incidence;    Theoretical study;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/635/3/032012/pdf
DOI  :  10.1088/1742-6596/635/3/032012

来源: IOP

【 摘 要 】

We have computed an accurate potential energy surface (PES) describing the electronic structure of the system H2/LiF(001). Based on this PES, we have performed an analysis of the dynamics of the system trying to understand recent experimental results obtained at fast grazing incidence conditions.