THE AB INITIO CALCULATION FOR THE BONDING STATE OF THE Hn CTUSTERS

摘要

The equilibrium geometries of several Hn（n=4,5,6,7,9,13) clsters with certain symmetry have been optimized by the ab inito Murtaug-Sargent(MS) method.We find that the stability of a centered cluster depends on the structure,the spin symmetry and the coordinate number,and the latter plays a more important role.