On the significance of ELF basins

Journal of Chemical Sciences

Andreas Savin1¹ 

[1] Laboratoire de Chimie Théorique, CNRS and Université Pierre et Marie Curie, 4, Place Jussieu, F-75252 Paris, France$$

关键词: Electron localization function (ELF);    maximum probability;    localized orbitals;    basins.;   

DOI  :  

来源: Indian Academy of Sciences

【 摘 要 】

For perfectly localized orbitals, the basins of ELF are the domains in which the probability of finding a pair of electrons is maximal.

【 授权许可】

Unknown