Thermodynamics and the global optimization of Lennard-Jones clusters
نویسندگان
چکیده
منابع مشابه
Forward and correct global optimization procedures for Lennard-Jones clusters
In this report some numerical results are presented for a special class of global optimization methods applied to molecular conformation problems. Following the results of a previously published method, in this report the authors show how some modifications to the basic structure of those algorithms enables us to obtain the optimal configuration for all clusters of Lennard-Jones atoms up to 80 ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1998
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.477477