Photoionization of CH4, H2O and NH3: A Sturmian Approach

L.U. ANCARANI; C.M. GRANADOS-CASTRO; G. GASANEO; DARIO MITNIK

Frankfurt

Congreso; 12th European Conference on Atoms, Molecules and Photons; 2016

Goethe-University, Frankfurt

Study of ionization processes plays a central role in quantum mechanics. Different theoretical methods have been proposed in the past, particularly to study photoionization (PI) of atoms. When studying PI in molecular systems, several challenges appear: the spatial orientation of the target (not resolved experimentally), the description of the Hamiltonian (highly noncentral) and the corresponding continuum states. Finding an accurate representation of such states for molecules is not an easy task. The Sturmian approach, which uses the Generalized Sturmian Functions (GSF), has been applied successfully for the study of (e,3e) and (gamma,2e) in He, but the extension of the method to molecular systems is under development. In this contribution, we use such Sturmian approach to study PI of molecules.