GENERALIZED STURMIAN FUNCTIONS APPLIED TO IONIZATION PROCESSES OF ATOMS AND MOLECULES

L.U. ANCARANI, C.M. GRANADOS-CASTRO, M.J. AMBROSIO, A.I. GOMEZ, E.L. GAGGIOLI, J.M. RANDAZZO, D.M. MITNIK, AND G. GASANEO

Buenos Aires

Congreso; Molecular Electronic Structure MESBA 2016; 2016

IAFE

The Sturmian approach, using Generalized Sturmian Functions (GSF), is a spectral methodthat has been applied successfully both for structurecalculations and for the study of several ionization processeswith atomic targets. GSF are radialor hyperradial functions that solve a Sturm-Liouville problem. In combination with angularor hyperangular basis functions, they canbe used as a basis set to deal with two- orthree-body bound or scattering problems. Byconstruction, the whole GSF set can be chosento possess asymptotic conditions appropriatefor the physical problem under consideration:bound-type behavior with a specific asymptoticcharge are chosen for bound states, while - forexample - outgoing behavior with a given adequateenergy are taken for solving scatteringprocesses. This important intrinsic propertymakes GSF basis sets - and thus the whole approach- computationally efficient.