Spectral and ionization energy shifts in van der Waals clusters

Abstract

A model calculation is presented of the spectral shift (δv) and ionization energy shift (δI) for small van der Waals (vdW) clusters consisting of an aromatic molecule and a rare-gas atom. The change of the vdW dispersion interaction associated with excitation or ionization is included explicitly. This new term is found to play a very important role and improve the previous work on δI by Jortner et al. The results show consistent trends and order of magnitude agreement in comparison with experimental data. © 1989 American Institute of Physics.