On the electronic structures of the gold tetramer clusters

Ab initio second order many body perturbation theory with scalar relativistic pseudopotentials have been used to determine the global minimum energy structures of the neutral, cationic and anionic gold tetramer clusters. The rhombic structure is found to be the most stable structure for all three charge states of the tetramer. The adiabatic ionization potential and the electron affinity are predicted to be 190.13 and 59.67 kcal/mol, respectively. Results are compared, wherever possible, with published data in the literature.