Theoretical resolution of the H- resonance spectrum up to the n=4 threshold. II. States of S-1 and D-1 symmetries - art. no. 052509

The resonance spectrum of H- for S-1 and D-1) symmetries up to the n = 4 th reshold has been computed by solving the corresponding complex eigenvalue S chrodinger equation in terms of basis functions of real and complex coordin ates. These functions are chosen and optimized judiciously and systematical ly in order to account for the specific details of electronic structure, el ectron correlation, and multistate and multichannel couplings characterizin g the problem. Large sets of Slater orbitals, extending in a regular manner to about 8000 atomic units, were employed in order to describe properly th e full range and especially the large-r behavior of the localized part of t hese resonances, as their energy approaches their corresponding threshold. Energies, widths, and wave-function characteristics are presented for 33 S- 1 states and 37 D-1 states having widths down to about 1 x 10(-9) a.u. Of t his total of 70 states, only 32 have been identified before via the applica tion of different theoretical approaches, or, for very few of them, in scat tering experiments. By adopting the Gailitis-Damburg model of dipole resona nces as the relevant zero order model, we identify unperturbed and perturbe d spectral series, in analogy with the well-known spectra of neutral atoms or positive ions, where the zero-order model is based on the Rydberg spectr um of the 1/r Coulomb potential. For perturbed spectra, only rough correspo ndence can be made with the smooth series predictions of the zero-order mod el. By achieving many-digit numerical precision for our results, we demonst rate the occasional presence of unique irregularities associated with each threshold, such as the existence of overlapping resonances and of "loner" r esonances (i.e., not belonging to any series) below and above threshold. An example for the latter is a D-1 shape resonance above the n = 3 threshold. This state was already identified by Ho and Bhatia [Phys. Rev. A 48, 3720 (1993)]. However, our values for the energy above threshold (Delta E = 0.49 497 meV) and for the width (Gamma = 8.632 meV) differ significantly from th eirs ((Delta E = 116.94 meV and Gamma = 157 meV).