THE AB INITIO CALCULATION FOR THE BONDING STATE OF THE Hn CTUSTERS |
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作者姓名: | Liang-moMei GuanPeng |
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作者单位: | [1]Dept.ofPhysics,Shandong,Univ.,Jian,Shandong250100,P.R.C [2]Dept.ofPhysics,LinyiTeachersCollege,Shandong2 |
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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.
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关 键 词: | 分子 Hn聚类 束缚态 量子化学 |
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