Structure and magnetism of neutral and anionic palladium clusters

The properties of neutral and anionic Pd-N clusters were investigated with spin-density-functional calculations. The ground-state structures are three dimensional for N > 3 and they are magnetic with a spin triplet for 2 less than or equal to N less than or equal to 7 and a spin nonet for N = 13 neu tral clusters. Structural and spin:isomers were determined and an anomalous increase of the magnetic moment with temperature is predicted for a Pd-7 e nsemble. Vertical electron detachment and ionization energies were calculat ed and the former agrees well with measured values for Pd-N(-).