Sturmian approach to study photoionization of molecules

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

Granados-Castro, C.M.^1,2 ; Ancarani, L.U.^1 ; Assfeld, X.^1 ; Gasaneo, G.^2,4 ; Mitnik, D.M.^3,4

Équipe TMS, SRSMC UMR 7565, Universitéde Lorraine, Metz

57078, France^1

Departamento de Física, Universidad Nacional Del sur, Bahía Blanca

8000, Argentina^2

Instituto de Astronomía y Física Del Espacio (IAFE), Universidad de Buenos Aires, Argentina^3

Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Argentina^4

关键词: Asymptotic boundary conditions;    Electron impact;    Scattering potentials;    Single ionization;    Small molecules;    Sturmian;    Sturmian functions;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/635/11/112073/pdf
DOI  :  10.1088/1742-6596/635/11/112073

来源: IOP

【 摘 要 】

We explore the implementation of generalized Sturmian functions for the study of ionization of molecules by photon or electron impact. A first part is devoted to finding a good enough description of the molecular model scattering potential and imposing accurate asymptotic boundary conditions to the molecular continuum wave functions. A second part deals with the calculation, within a generalized Sturmian approach, of single ionization cross sections for small molecules such as CH4, H2O and NH3. Issues related to the random molecular orientation are addressed.