Τhe Near Valence Ionization of DNA Fragments

This study reveals the importance of two-body interactions in the near valence ionization of large DNA fragments. The ionization of large DNA fragments have for the first time been simulated with the many-body Green’s function coupled cluster method over a broad valence energy regime. The inclusion of two-body components (two holes, one particle) reveals an important transition from intra- to inter-base-pair excitation as we increase the fragment size.