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Theoretical study on the ground state of the polar alkali-metal-barium molecules:Potential energy cu
[会议论文] 作者：Dezhi Gou,Xiaoyu Kuang,Yufeng Gao,Dongming Huo,
来源：第十八届全国原子与分子物理学术会议 年份：2015
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Theoretical study on the ground state of the polar alkali-metal-barium moleculesPotential energy cur
[会议论文] 作者：Dezhi Gou,Xiaoyu Kuang,Yufeng Gao,Dongming Huo,
来源：第十八届全国原子与分子物理学术会议 年份：2015
In this paper,we systematically investigate the electronic structure for the 2 Σ+ ground state of the polar alkali-metal-alkaline-earth-metal molecules BaAlk (...
[会议论文] 作者：Yuanyuan Jin,Xiaoyu Kuang,Chuanzhao Zhang,Jingjing Wang,Liping Ding,Yonghong Tian,Cheng Lu,Jian Lv,
来源：第十八届全国原子与分子物理学术会议 年份：2015
...
Insights into the geometries,electronic and magnetic properties of neutral and charged palladium clu
[会议论文] 作者：Xiaodong Xing,Andreas Hermann,Xiaoyu Kuang,Meng Ju,Cheng Lu,Yuanyuan Jin,Xinxin Xia,George Maroulis,
来源：第六届全国计算原子与分子物理学术会议 年份：2016
We performed an unbiased structure search for low-lying energetic minima of neutral and charged palladium Pdn Q(n = 2-20,Q = 0,+1 and –1)clusters using CALYPSO method in combination with density funct...
[会议论文] 作者：Chuanzhao Zhang,Xiaoyu Kuang,Yuanyuan Jin,Cheng Lu,Dawei Zhou,Peifang Li,Gang Bao,Andreas Hermann,
来源：第六届全国计算原子与分子物理学术会议 年份：2016
We present results of an unbiased structure search for stable ruthenium silicide compounds with various stoichiometries,using a recently developed technique that combines particle swarm optimization a...
[会议论文] 作者：Yuanyuan Jin,Yonghong Tian,Xiaoyu Kuang,Cheng Lu,Jos(e) Luis Cabellos,Sukanta Mondal,Gabriel Merino,
来源：第六届全国计算原子与分子物理学术会议 年份：2016
...
[会议论文] 作者：Yuanyuan Jin,Yonghong Tian,Xiaoyu Kuang,Chuanzhao Zhang,Cheng Lu,Jingjing Wang,Jian Lv,Liping Ding,
来源：第十八届全国原子与分子物理学术会议 年份：2015
The global minimum structures of pure and boron doped silver clusters up to 16 atoms are determined through ab initio calculations and unbiased structure searching methods.The results show that the st...
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