Effect of compression on the global optimization of atomic clusters
The optimization of atomic clusters by transformation of potential energy was discussed. The method showed the reduction of transition states on potential energy surfaces (PES). The Lennard-Jones clusters were optimized by a double funnel topography. The stationary points were reduced on PES in the...
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| 格式: | Journal article |
| 语言: | English |
| 出版: |
American Inst of Physics
2000
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