Super valence bond model

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户:zhouyang340345
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
Jellium model is widely used in studies of alkali-metal clusters.In this model,the valence electrons of a cluster are delocalized in the cluster volume and fill discrete energy levels.
其他文献
In this presentation,we report the two-component relativistic density functional theory(DFT) calculations within the exact two-component(X2C) frameworks for the
会议
Bonding is a glue of chemical matter.Despite the fact that electron pairing remains the bonding mechanism in the great majority of molecules,in the past few dec
会议
会议
会议
会议
会议
会议
The 1,3∑-g,u manifolds of the H2 molecule are in an energy region delimited by the 2∑+u(2pσu) and the 2πu(2pπu)ionization thresholds of the H2+ion,an energ
会议
会议
Delocalized interactions involving aromatic rings are central to many areas of modern chemistry.However,common topological approaches find it difficult to descr
会议