TY - JOUR
T1 - Ab Initio Pseudopotential Study of Cluster Growth of Coinage Metal Telluride Clusters $Au_nTe_m$
AU - Q.-M. Surong, H. J. Yan, F.-M. Liu & Y. F. Zhao
JO - Journal of Atomic and Molecular Sciences
VL - 2
SP - 152
EP - 161
PY - 2010
DA - 2010/05
SN - 1
DO - http://doi.org/10.4208/jams.110209.112709a
UR - https://global-sci.org/intro/article_detail/jams/8076.html
KW - clusters $Au_nTe_m$, electron correlation, relativistic effect.
AB - <p style="text-align: justify;">The geometries of the lowest-lying isomers of small $Au_nTe_m$ $(n, m=1, 2)$ clusters 
are determined through the MP2 method. The aspect of 
gold-telluride interaction, the electron correlation 
and relativistic effects on geometry, and cluster growth 
are investigated at the MP2 and CCSD(T) theoretical 
levels. The results show that the gold-telluride 
interaction is strong enough to modify the known pattern 
of bare gold clusters. The electron correlation and 
relativistic effects are responsible not only for 
gold-gold attraction but also for additional gold-telluride 
interaction. Both electron correlation and relativistic 
effects are essential for determining the geometry and 
cluster growth of coinage metal telluride compound clusters $Au_nTe_m$.</p>