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Pseudopotential Density-Functional Calculations for Structures of Small Carbon Clusters CN (N = 2～8)
[期刊论文] 作者：BAI Yu-lin,CHEN Xiang-Rong,YAN,
来源：理论物理通讯（英文版） 年份：2004
We introduce a first-principles density-functional theory, i.e. the finite-difference pseudopotential densityfunctional theory in real space and the Langevin mo...
[期刊论文] 作者：Bai Yu-Lin,Chen Xiang-Rong,Cheng Xiao-Hong,Yang Xiang-Dong,
来源：中国物理（英文版） 年份：2007
Absorption spectra for Sn clusters(n=2...8) are calculated using an adiabatic time-dependent density functional formalism within the local density approximation...
[期刊论文] 作者：ZHOU Xiao-Lin,BAI Yu-Lin,CHEN Xiang-Rong,YANG Xiang-Dong,
来源：中国物理快报（英文版） 年份：2004
We employ a real-space pseudopotential method to determine the ground state structure of the carbon cluster C6 via simulated annealing and the corresponding opt...
[期刊论文] 作者：BAI Yu-Lin,CHEN Xiang-Rong,CHENG Xiao-Hong,YANG Xiang-Dong,
来源：中国物理快报（英文版） 年份：2005
Polarizabilities of small Sn (n = 2-8) clusters are calculated by using the higher-order finite-difference pseudopotential density functional method in real spa...
[期刊论文] 作者：Bai Yu-Lin,Chen Xiang-Rong,Zhou Xiao-Lin,Yang Xiang-Dong,Wang Hai-Yan,
来源：中国物理（英文版） 年份：2004
The intermolecular interaction potential for methane-argon complex is calculated by local density approximation (LDA) approaches. The calculated potential has a...
,Time-Dependent Local Density Approximation Calculations for Absorption Spectra of Small Carbon Clus
[期刊论文] 作者：BAI Yu-Lin,CHENG Xiao-Hong,CHENG Yan,CHEN Xiang-Rong,YANG Xiang-Dong,
来源：中国物理快报（英文版） 年份：2004
Absorption spectra for Cn clusters (n = 2-8) are calculated using an adiabatic time-dependent density functional formalism within the local density approximatio...
,Intermolecular Interaction Potentials of CH4-Ne Complex Calculated with Local Density Approximation
[期刊论文] 作者：BAI Yu-Lin,CHENG Xiao-Hong,CHEN Xiang-Rong,YANG Xiang-Dong,ZHU Jun,
来源：中国物理快报（英文版） 年份：2004
The intermolecular interactions potentials for two configurations of CH4-Ne complex are calculated with local density approximation methods in the frame of dens...
[期刊论文] 作者：BAI Yu-Lin,CHEN Xiang-Rong,ZHOU Xiao-Lin,CHENG Xiao-Hong,YANG Xiang-Dong,
来源：中国物理快报（英文版） 年份：2006
We investigate the structures and the melting temperature of the Si6 cluster by using the first-principles pseudopotential method in real space and Langevin mol...
,First-Principles Calculations of Scanning-Tunnelling-Microscopy Images of Ar Atoms Adsorbed on a Gr
[期刊论文] 作者：BAI Yu-Lin(白玉林),ZHOU Xiao-Lin(周晓林),CHEN Xiang-Rong(陈向荣),GOU Qing-Quan(芶清泉),
来源：中国物理快报（英文版） 年份：2003
Local density approximation within the framework of the density functional theory is applied to calculate the scanning tunnelling microscopy(STM)images of Ar at...
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