Electron affinities of germanium anion clusters, Ge-n(-) (n=2-5)

摘要

Gaussian-2 (G2) theory for third-row non-transition elements is used to calculate accurate electron affinities of germanium clusters, Ge-n (n = 2-5). The results for n = 2-4 are in agreement with experiment while there is some disagreement for Ge-5, The electron affinities are also calculated using G2 theory modified by adding a diffuse function to the basis set for MP2 geometry optimizations and using the B3LYP density functional method with the 6-311 +G(3df,2p) basis set. (C) 2001 Published by Elsevier Science B.V. [References: 29]