Gravitational smoothing as a global optimization strategy |
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Authors: | Whitfield T W Straub John E |
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Affiliation: | Department of Chemistry, Boston University, Boston, Massachusetts 02215, USA. |
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Abstract: | An optimization scheme for atomic cluster structures, based on exaggerating the importance of the gravitational force, is introduced. Results are presented for calculations on Lennard-Jones clusters of 13, 38, and 55 atoms, and the 13-atom Morse cluster. |
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Keywords: | global optimization Lennard‐Jones clusters potential deformation |
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