Green’s function coupled cluster simulation of the near-valence ionizations of DNA-fragments
Green’s function coupled cluster simulation of the near-valence ionizations of DNA-fragments
Accurate description of the ionization process in DNA is crucial to the understanding of the DNA damage under exposure to ionizing radiation, and the exploration of the potential application of DNA strands in nano-electronics. In this work, by employing our recently developed Green's function coupled-cluster (GFCC) library on supercomputing facilities, …