A comparison between density functional theory calculations and the additive schemes of polarizabilities of the Li-F-decorated BN cages
1. A comparison between density functional theory calculations and the additive schemes of polarizabilities of the Li-F-decorated BN cages

Maryam Anafcheh

Volume 1, Issue 3 , Summer 2021, , Pages 125-133

http://dx.doi.org/10.22034/jaoc.2021.292384.1027

Abstract
  We have applied density functional theory calculations to study the polarizabilities of the LiF decorated B12N12 cages (B12N12LinFn derivatives, n=1-12). The mean polarizability of ...  Read More