,Application of Time-Dependent Density-Functional Theory to C6

来源 :中国物理快报(英文版) | 被引量 : 0次 | 上传用户:xuehua812
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
We employ a real-space pseudopotential method to determine the ground state structure of the carbon cluster C6 via simulated annealing and the corresponding optical absorption spectra from the adiabatic time-dependent density-functional theory (TDDFT) and the local density approximation (TDLDA). It is found that the ground state structure of the carbon cluster C6 belongs to a monocyclic D3h structure and the calculated spectra exhibit a variety of features that can be used for comparison against future experimental investigations.
其他文献
Lead-free piezoelectric ceramics with the composition of (Nao0.53K0.435Li0.035)Nb0.94-xSbxTa0.06O3(NKLNST)are synthesized by a conventional solid-state sinterin
期刊
随着互联网的普及,高校教育教学和创新面临着新的机遇与挑战,在高校“互联网+古筝”教学中与互联我信息及数据进行深度融合,变封闭式教育为开放式教育,有利于高校可持续发展,
It is pointed out that if in heavy ion collision processes, the quark-gluon plasma SU(2) chiral phase transition really takes place and the phase transition is
期刊
手绘表现技能是环境艺术设计专业行业从业人员必须具备的基本技能,但是目前高职院校的学生对手绘效果图的认同感比较低,对手绘表现技法的学习缺乏积极性.提高手绘效果图表现
本文以面向舞蹈表演中专学生的文学鉴赏课课堂教学实践为例,总结了“表演再现法”的实施步骤及要求,并深入探讨了“表演再现法”的意义和作用.
本文简要分析了美术教学发展中遇见的问题:美术教师学科技能不足、美术课程轻文化的教学理念、美术学科没有得到学校与家长的重视等,对此提出了基于核心素养美术教育对策:提
Based on the exact solution of start-up flow of Maxwell fluids in a long circular straight pipe, the effect of viscosity on the time of flow establishment is an
期刊
英语的学习强调一个积极的学习态度,一个合理的学习纲要,一个严格的结果预期.一个有计划,有目的,有重点的学习方式是掌握好英语学习的关键要素.通过具体实践的经验对英语学习
演讲,主题是演讲的灵魂,材料是演讲的血肉.要使演讲有血有肉,必须重视演讲的选材.选择演讲材料,可以从材料的真实性、针对性、典型性、现实性、对比性、新颖性六个方面入手,
A virtual complex source approach has been developed to calculate numerically the ultrasound field generated by a rectangular planar source with high efficiency
期刊