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Structures and electronic properties of v3sin(n=6-17)anion clusters from ab initio calculations
【机 构】
:
Key Laboratory of Materials Modification by Laser,Ion and Electron Beams,Dalian University of Techno
【出 处】
:
China-Europe International Workshop on Alloy Nanoparticles(中
【发表日期】
:
2013年11期
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Modeling the kinetics of chemical order in AgAu and AgNi bimetallic nanoalloys via discrete path sam
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会议
In this paper,we introduce a global minimum search program based on the Basin Hopping(BH)algorithm.To improve the efficiency of the BH algorithm,several types of constraints are implemented to reduce