Global optimization of Morse clusters with shortrange potential is a great challenge. Here, we apply our recently developed unbiased fuzzy global optimization method to systematically study Morse clusters with the potential range ρ = 14 and the number of atoms N up to 400. All the putative global minima reported in the literature have been successfully reproduced with relatively high success ratios. Compared to the available results for N ≤ 240 and several larger Morse clusters, new global minima (and local minima) with lower energies have been found out for N = 164, 175, 188, 193, 194, 197, 239, 246, 260, 318, and 389. Clusters with magic numbers are figured out through fitting the size-dependent global minimum energies. The cluster structures tend to be close-packed for short-range potential with large N.
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December 2021
Research Article|
December 01 2021
Unbiased fuzzy global optimization of Morse clusters with short-range potential for N ≤ 400 †
Special Collection:
Virtual issue on Theoretical and Computational Chemistry (2021)
Liping Chen;
Liping Chen
a
Hangzhou Institute of Advanced Studies, Zhejiang Normal University
, Hangzhou 311231, China
b
Key Laboratory of Excited-State Materials of Zhejiang Province, Zhejiang University
, Hangzhou 310027, China
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Linjun Wang
Linjun Wang
*
c
Key Laboratory of Excited-State Materials of Zhejiang Province, Department of Chemistry, Zhejiang University
, Hangzhou 310027, China
*Author to whom correspondence should be addressed. E-mail: [email protected]
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*Author to whom correspondence should be addressed. E-mail: [email protected]
†
Part of Special Issue “John Z.H. Zhang Festschrift for celebrating his 60th birthday”.
Chin. J. Chem. Phys. 34, 896–904 (2021)
Article history
Received:
October 24 2021
Accepted:
November 12 2021
Citation
Liping Chen, Linjun Wang; Unbiased fuzzy global optimization of Morse clusters with short-range potential for N ≤ 400. Chin. J. Chem. Phys. 1 December 2021; 34 (6): 896–904. https://doi.org/10.1063/1674-0068/cjcp2110210
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