In recent years considerable investigations have been made on the applications of duster to simulating the calculations of solids. A general conclusion obtained is that the MO results show increasing similarity to the...In recent years considerable investigations have been made on the applications of duster to simulating the calculations of solids. A general conclusion obtained is that the MO results show increasing similarity to the electronic structure of the corresponding solid, as the size of cluster is increased. The results calculated on the duster containing about ten atoms exhibit all the main features of band structare.展开更多
文摘In recent years considerable investigations have been made on the applications of duster to simulating the calculations of solids. A general conclusion obtained is that the MO results show increasing similarity to the electronic structure of the corresponding solid, as the size of cluster is increased. The results calculated on the duster containing about ten atoms exhibit all the main features of band structare.
