“…Furthermore, the calculated bond lengths, binding energies and vertical ionization potentials for Au 2 and Cu 2 clusters in our work were 2.487 Å , 2.426 eV, 9.380 eV and 2.222 Å , 2.110 eV, 8.155 eV, respectively. These results are in good agreement with the experimental values of 2.473 Å , 2.306 ± 0.005 eV, 9.400 ± 0.02 eV for Au 2 [22] and 2.220 Å , 1.995 ± 0.05 eV, 7.980 ± 0.02 eV for Cu 2 [23]. Therefore, we are confident that the adopted computational method is reliable and accurate enough for the study of these Au n Cu clusters.…”