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基于CALYPSO方法研究晶体和团簇结构

Study on Crystal and Cluster Structure Based on CALYPSO Method
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摘要 对CALYPSO预测方法的原理和核心技术进行了详细的介绍,并应用该方法分别研究了单质锂晶体和硼原子团簇结构的有关粒子空间分布构造问题,从而对CALYPSO方法有了更深入的了解和认识。 The principle and core technology of the prediction method of CALYPSO are introduced in detail,and the method is applied to study the spatial distribution of particles in Li crystal and Be atom clusters,respectively.So that we have a deeper understanding of CALYPSO method.
作者 杨雪 张跃 崔张豪 YANG Xue;ZHANG Yue;CUI Zhanghao(Jilin Institute of Chemical Technology,Jilin Jilin 132022)
机构地区 吉林化工学院
出处 《大学物理实验》 2019年第1期72-75,共4页 Physical Experiment of College
基金 国家自然科学基金(11447194) 吉林化工学院重大科研项目(2016017) 吉林化工学院科研项目(2018017)
关键词 CALYPSO 结构预测 群智算法 粒子群 CALYPSO structure prediction group intelligence algorithm particle swarm
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