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• W2024946703 abstract "In this work, we suggest an interatomic potential for iodine applicable to the simulation of the condensed phases of the halogen within the temperature and density range accessible to experiments. The potential includes an attractive term that is partitioned into directional chemical bonding with a many-particle character and a pairwise interaction. Despite its simplicity, the potential reproduces the crystal structure of solid iodine, the presence of atomic phases with increasing pressure, and the metallic or insulating character of the solid phases. Finally, we present preliminary simulation results for fluid iodine." @default.
• W2024946703 created "2016-06-24" @default.
• W2024946703 creator A5038841528 @default.
• W2024946703 creator A5041753618 @default.
• W2024946703 date "2003-04-22" @default.
• W2024946703 modified "2023-10-18" @default.
• W2024946703 title "A tight-binding potential for the simulation of solid and liquid iodine" @default.
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• W2024946703 doi "https://doi.org/10.1088/0953-8984/15/17/342" @default.
• W2024946703 hasPublicationYear "2003" @default.
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