Theoretical investigation of Rydberg states of He2 using the R-matrix method

Abstract

Bound states of the He 2 molecule are determined from an electron-He 2 + collision calculation using the R-matrix method. The calculations are performed at a moderately dense grid of 35 internuclear separations are used to characterise He 2 Rydberg states with n ≤ 7 . Potential energy curves for singlet 1 Σ g + , 1 Σ u + , 1 Π g , 1 Π u and 1 Δ u and triplet 3 Σ g + , 3 Σ u + , 3 Π g , 3 Π u and 3 Δ u Rydberg states of He 2 as well as effective quantum numbers as a function of internuclear separation are calculated. Based on the potential energy curves of A 1 Σ g + , B 1 Π g , C 1 Σ u + , F 1 Π u and a 3 Σ u + , b 3 Π g , c 3 Σ g + , f 3 Π u , spectroscopic parameters ( T e , D e , R e , ω e , ω e x e , α e and B e ) of these states have been determined and compared with theoretical and experimental data available.