SPIN COUPLING IN SHAKE-UP PROCESSES

摘要

The treatment of spin coupling in calculations of shake-up states in core photoelectron processes is reviewed and the problems arising when the equivalent core approximation is used to model the core hole are discussed. A method for approximating the intensity of the triplet-coupled doublet state in semiempirical calculations is proposed. The intensities of the triplet-coupled doublet states in N-2, formaldehyde, and aniline core ionization spectra are calculated. (C) 1997 John Wiley & Sons, Inc. [References: 26]