Model potential nonlocal density functional calculations of small cobalt clusters, Co-n,n <= 5

The results of self-consistent nonlocal generalized gradient approximation (GGA) density functional calculations are reported for small cobalt cluster s Co-n (2 less than or equal to n less than or equal to 5). An emphasis is made on a proper treatment of exchange and correlation effects. The enhance ment of the magnetic moments as well as the bonding properties of these clu sters are discussed in terms of the cluster size and symmetry. We compare s ome results from deMon-KS (D) module release 3.2 and the computational sche me of Sambe-Felton and Dunlap (SFD). (C) 2001 Elsevier Science B.V. All rig hts reserved.