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Structures and Absorption Optical Spectra of Silicon Cluster Si-9 via First-Principles Calculations 期刊论文
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 2011, 卷号: 8, 期号: 12, 页码: 2423-2428
作者:  Li, Zhe;  Chen, Xiang-Rong;  Lan, Jun-Qing;  Bai, Yu-Lin
收藏  |  浏览/下载:99/0  |  提交时间:2021/02/02
Pseudopotential Density-Functional Theory  Langevin Molecular Dynamics Annealing Technique  Time-Dependent Local Density-Functional Formalism  Silicon Cluster  
Structures and absorption spectra of sulfur cluster S(9) via first-principles calculations 期刊论文
Physica B-Condensed Matter, 2010, 卷号: 405, 期号: 1, 页码: 148-152
作者:  J. Q. Lan;  X. R. Chen;  Y. L. Bai;  J. Zhu
Adobe PDF(333Kb)  |  收藏  |  浏览/下载:114/0  |  提交时间:2012/04/13
Density-functional Theory  Langevin Molecular Dynamics  Annealing  Technique  Sulfur Clusters  Local-density Approximation  Electron-gas  Ab-initio  Ci Method  Time  Pseudopotentials  Spectroscopy  Molecules  
Structures and absorption spectra of sulfur cluster S-9 via first-principles calculations 期刊论文
PHYSICA B-CONDENSED MATTER, 2010, 卷号: 405, 期号: 1, 页码: 148-152
作者:  Lan, Jun-Qing;  Chen, Xiang-Rong;  Bai, Yu-Lin;  Zhu, Jun
收藏  |  浏览/下载:90/0  |  提交时间:2021/02/02
Density-functional theory  Langevin molecular dynamics  Annealing technique  Sulfur clusters  
Structures and absorption spectra of sulfur cluster S-9 via first-principles calculations 期刊论文
PHYSICA B-CONDENSED MATTER, 2010, 卷号: 405, 期号: 1, 页码: 148-152
作者:  Lan, Jun-Qing;  Chen, Xiang-Rong;  Bai, Yu-Lin;  Zhu, Jun
收藏  |  浏览/下载:139/0  |  提交时间:2021/02/02
Density-functional theory  Langevin molecular dynamics  Annealing technique  Sulfur clusters  
First-principles calculations for structures and absorption optical spectra of sulfur cluster S-7 期刊论文
PHYSICA B-CONDENSED MATTER, 2004, 卷号: 351, 期号: 1-2, 页码: 197-203
作者:  Chen, XR;  Cheng, Y;  Zhou, XL;  Bai, YL;  Zhu, J
收藏  |  浏览/下载:113/0  |  提交时间:2021/02/02
Pseudopotential density-functional theory  Langevin molecular dynamics  annealing technique  sulfur clusters  
First-principles calculations for structures and absorption optical spectra of sulfur cluster S(7) 期刊论文
Physica B-Condensed Matter, 2004, 卷号: 351, 期号: 1-2, 页码: 197-203
作者:  X. R. Chen;  Y. Cheng;  X. L. Zhou;  Y. L. Bai;  J. Zhu
收藏  |  浏览/下载:75/0  |  提交时间:2012/04/14
Pseudopotential Density-functional Theory  Langevin Molecular Dynamics  Annealing Technique  Sulfur Clusters  Langevin Molecular-dynamics  Ab-initio  Electronic-structure  Liquid  Sulfur  Ci Method  Silicon  Pseudopotentials  Cycloheptasulfur  Spectroscopy