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THE AB INITIO CALCULATION FOR THE BONDING STATE OF THE Hn CTUSTERS
作者姓名:Liang-moMei  GuanPeng
作者单位:[1]Dept.ofPhysics,Shandong,Univ.,Jian,Shandong250100,P.R.C [2]Dept.ofPhysics,LinyiTeachersCollege,Shandong2
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.

关 键 词:分子  Hn聚类  束缚态  量子化学
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