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采用了一种新的结构搜索方法,发现了以往报道中没有的新的更低的能量结构,我觉得这种方法比遗传算法、盆地跳跃、粒子群优化算法等更直接有效。希望对今后新的研究课题能有更好的结果。
Qi Liang Lu, Qi Quan Luo, Shou Guo Huang, Yi De Li,Structural transition of (InSb)n clusters at n=6–10, Chem. Phys. Lett. 663 (2016) 128–132.
Qi Liang Lu, Qi Quan Luo, Shou Guo Huang, Yi De Li, and Jian Guo Wan,Analysis of the Structures and Properties of (GaSb)n (n = 4−9) Clusters through Density Functional Theory, J. Phys. Chem. A 120 (2016) 4560−4564.
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