Description of light-element magnetic systems via density functional theory plus U with an example system of fluorinated boron nitride: An efficient alternative to hybrid functional approach

Description of light-element magnetic systems via density functional theory plus U with an example system of fluorinated boron nitride: An efficient alternative to hybrid functional approach

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 146, 15 April 2018, Pages 84-89

Wanxue Li, Xiaojun Xin, Hongyan Wang, Chunsheng Guo, Hong Jiang, Yong Zhao,