Structural relaxation in morse clusters: Energy landscapes

被引:120
作者
Miller, MA [1 ]
Doye, JPK [1 ]
Wales, DJ [1 ]
机构
[1] Univ Cambridge, Chem Lab, Cambridge CB2 1EW, England
关键词
D O I
10.1063/1.478067
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We perform a comprehensive survey of the potential energy landscapes of 13-atom Morse clusters, and describe how they can be characterized and visualized. Our aim is to detail how the global features of the funnel-like surface change with the range of the potential, and to relate these changes to the dynamics of structural relaxation. We find that the landscape becomes rougher and less steep as the range of the potential decreases, and that relaxation paths to the global minimum become more complex. (C) 1999 American Institute of Physics. [S0021-9606(99)03001-9].
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页码:328 / 334
页数:7
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