THEORY OF MOLECULAR AUGER-SPECTRA

A variety of methods have been applied to the molecular Auger problem and the applications cover by now a representative cross section of chemically and physically interesting molecules and effects. Theory has been found indispensable for interpreting and assigning the spectra. There are several differences in treating the molecular Auger problem as opposed to the atomic one, first of all the breakdown effects which are frequent even for first-row molecules and depending on saturation of bonds and density of states. From the outset of the present state of the art one predict development of theory and calculations of molecular Auger mainly along two lines of research. One may denote these as the “chemistry” the “physics” lines. The former rests basically on the analysis in terms of electronic structure theory, something which has been much advanced lately. The latter will in addition to the electronic structure description also be closely linked to a clever implementation of scattering theory. © 1992, Academic Press Inc.