Anionic Germanium–Niobium Clusters: Atomic Structure, Mechanisms of Cluster Formation, and Electronic Spectra

详细

Results from optimizing the atomic structure of anionic clusters \({\text{NbGe}}_{n}^{ - }\) (n = 8−20) are presented, along with their calculated electronic spectra. The calculations are performed within the density functional theory. The real spatial structures of the clusters are determined by comparing the calculated and known experimental data.