课题基金 / 基金详情

Electronic Structure of Semiconductor and Heavy Main Group Clusters

Electronic Structure of Semiconductor and Heavy Main Group Clusters
半导体和重主族团簇的电子结构
批准号:
8818869
负责人:
Krishnan Balasubramanian
金额:
$11.92万
依托单位:
依托单位国家:
美国
项目类别:
Continuing Grant
财政年份:
1989
资助国家:
美国
项目状态:
已结题
起止时间:
1989-01-01 至 1992-06-30

项目摘要

项目成果

Krishnan Balasubramanian的其他基金

相似基金

相关文献

中文摘要
翻译
在这个项目中,理论和计算物理 化学系化学课程,Balasubramanian 将对半导体进行大规模计算 集群 这些计算将研究能量和 这些集群的结构。 多配置自洽场,其次是 组态相互作用和相对论组态 提出了重混合气体的相互作用计算方法 含有镓,砷,铟, 锑、锡、铅和铋原子。 能源分离 低电子态,几何,电离 势,电子亲和势和结合能将是 作为集群大小的函数进行研究。
英文摘要
In this project in the Theoretical and Computational Physical Chemistry Program of the Chemistry Division, Balasubramanian will carry out large-scale calculations on semiconductor clusters. These calculations will investigate the energy and structure of these clusters. Multi-configuration self-consistent field, followed by configuration interaction and relativistic configuration interaction calculations are proposed for heavy mixed semiconductor clusters containing gallium, arsenic,indium, antimony, tin, lead, and bismuth atoms. The energy separations of low-lying electronic states, geometries, ionization potentials, electron affinities, and binding energies will be investigated as a function of cluster size.
期刊论文(0)
专著(0)
科研奖励(0)
会议论文
ARI-MA: Collaborative Research: An Experimental and Computational Study of Actinide Detection and Identification by Engineered Mesoporous Sensor Materials for Actinide Forensics
Electronic Structure of SemiConductor and Main Group Clusters and Compounds
Electronic Structure of SemiConductor and Main Group Clusters and Compounds
  • 批准号:
    0236434
  • 项目类别:
    Standard Grant
  • 资助金额:
    $25.96万
  • 财政年份:
    2003
  • 负责人:
    Krishnan Balasubramanian
  • 依托单位:
Electronic Structure of Semiconductor Clusters
  • 批准号:
    0196031
  • 项目类别:
    Standard Grant
  • 资助金额:
    $20.1万
  • 财政年份:
    2000
  • 负责人:
    Krishnan Balasubramanian
  • 依托单位:
海外基金