Mapping Rydberg States of H2 with the Halfium R-Matrix Method

In this paper, we use the Halfium R-matrix method to investigate the Rydberg states of the H2 molecule up to n = 20, filling the gap above the low-lying bound states already calculated with configuration interaction packages. Moreover, we show that the use of Quantum Defect Theory scaling laws, allows for a comprehensive analysis of the regular patterns resulting from the coupling between Rydberg series and doubly excited states. The results should open the door for more efficient quasi-diabatization of the potential energy curves which is required for calculating cross sections and rate coefficients of the (e + H2+) collisional processes, involved in the plasma modeling for fusion devices.