LDA electronic structure calculations on Au13 cluster

The electronic structure of the cubo-octahedral Au₁₃ cluster was investigated within a self-consistent molecular-orbital Slater-type-orbital framework. The scalar relativistic calculated density of states (DOS) for the gold cluster under consideration show relatively similar features to those obtained experimentally or theoretically earlier calculated by fully relativistic methods. © 1997 John Wiley & Sons, Inc.