Global minimum structures of morse clusters as a function of the range of the potential: 81<or=N<or=160.
نویسندگان
چکیده
We have attempted to find the putative global minimum structures of Morse clusters for cluster size N=81-160 as a function of the range of the potential (with potential range rho0>or=3.0). Moreover, compared to the results for N<or=80 listed in the Cambridge Cluster Database, a number of new putative global minima are given. A structural and conformational analysis of M100 for different rho0 was given. The sequences of the global minima as a function of rho0 and N were studied, and the zero temperature "phase diagram" was given for an overall view of how the global minima depend upon N and rho0.
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ورودعنوان ژورنال:
- The journal of physical chemistry. A
دوره 111 24 شماره
صفحات -
تاریخ انتشار 2007