Multiple-scattering-Xα studies of the L2,3 near edge photoabsorption spectra of H2S, HCl and Cl2, and on the intensity variation in the L2,3 near edge spectra of XHn, X=Si, P, S, Cl and n=4, 3, 2, 1

Abstract

Abstract The L 2,3 pre-edge features of H 2 S, HCl, and Cl 2 are calculated by multiple scattering Xα (MS-Xα) method. The calculated results are compared with previous ab initio calculations and the advantage of the MS-Xα method for pre-edge calculation over other theoretical methods is discussed. Furthermore, the influence of molecular environment on the intensity of Rydberg transitions is emphasized, and a comparative study on the L 2,3 XANES of X H n ( X = Si, P, S, Cl and n = 4, 3, 2, 1) is presented to illustrate the correlation between the molecular environment and the L 2,3 XANES.