In this paper, highly symmetric arsenic cage clusters Asn(n=4,8,12,16,20,28,32,36,40) have been investigated by density functional theory (DFT) and ab initio methods.

• 采用密度泛函理论和从头算方法对笼状的砷原子团簇As_n(n=4,8,12,16,20,28,32,36,40)进行了研究。