In this paper we use the calculated photoabsorption cross section and scattering parameters to classify most of the autoionizing lines reported by Garton et al. [Proc. R. Soc. London Ser. A 333, 1 (1973)]. This study proves the capability of eigenchannel R-matrix calculations to provide spectroscopically useful information on the complicated spectra of transition-metal atoms. We present cross sections for the six optically allowed combinations 4s 3d Dsy2 sI2~1 /2, 3 /2, 5 /2, 7 /2 from near the (4s3d) D thresholds to the (3d ) F thresholds.PACS number(s): 32.80.Fb, 31.20.Di, 32.80.Dz
I. IN TROD U CTIONThe preceding paper describes general aspects of Sc photoionization dynamics in the low-energy autoionizing region [1]; the transition-metal atoms have rarely been studied in this region of their spectrum. The theoretical description of the spectra is complicated by the large number of closely spaced thresholds; the Rydberg series interact with each other producing a complicated spectrum. The calculated scattering parameters need to be very accurate to place the perturbers in the correct positions; the theoretical spectrum can appear very different even if the perturber has only a small error in its quantum defect (because the error in the position of the perturber is [Aw (a.u. )] = Ap/vs, where the efFective quantum number v is comparatively small in the perturbing channel). The lessons learned in the theoretical treatment of Sc may apply to the other transition metals since the valence shell for all of these elements is composed of s and d orbitals.The focus of this paper is on the detailed classification of the autoionizing lines reported by Garton et al.[2] (GRTE). We present theoretical spectra for photoionization from the D3y2 5/2 ground electronic states along with the positions of some experimental lines marked by vertical lines; this comparison can indicate the level of agreement between theory and experiment. The results reported here are complementary to those reported earlier [1]; a better understanding of Sc can be obtained by studying both the fine-scale details and the large-scale dynamics. The following paper predicts the photoionization of an even-parity Sc excited state and compares to experimental cross sections from threshold to the E thresholds; comparison of the cross sections for photoabsorption from two different initial states adds insight into the dynamics.The results presented in this paper show that the eigenchannel R-matrix technique achieves the accuracy needed for the theoretical description of the complex spectra of transition-metal elements. This method has already produced many spectroscopically useful results for complex spectra of the alkaline earths and for several atoms with open p subshells. However, the density (in energy) of thresholds for the transition-metal atoms near the ionization threshold is an order of magnitude larger than for any of the other elements that have been attempted; the spectra are extremely complicated by perturbers, even near the lowest thresholds...