University Chemistry ›› 2016, Vol. 31 ›› Issue (1): 79-82.doi: 10.3866/pku.DXHX20160179

• Self Studies • Previous Articles    

Study of the Atomic Shell Structures of Main Group Atoms by the Electron Location Function

Xiao-Yan LI,Yan-Li ZENG,Zheng SUN,Ling-Peng MENG,Shi-Jun ZHENG*()   

  • Published:2016-01-28
  • Contact: Shi-Jun ZHENG
  • Supported by:


The atomic shell structure of the first to the fourth row elements were studied by the electron location function(ELF).The shell radii and population in individual shells were calculated and the relationship between the atom numbers and the atomic radii was discussed.The results could help to understand the atomic shell structure.

Key words: Topological analysis of electron density, Electron location function, Atomic shell


  • O641