Exploring the electronic structure and stability of HgF6: Exact 2-Component (X2C) relativistic DFT and NEVPT2 studies

DOI number:10.1016/j.comptc.2019.05.007

Journal:Computational and Theoretical Chemistry

Co-author:Shu-Xian Hu, Huixian Han, Wenli Zou,Huixian Han, Guina Guo, Bingbing Suo

First Author:Chun Gao

Correspondence Author:Shu-Xian Hu, Wenli Zou

Volume:1160

Page Number:14-18

ISSN No.:2210-271X

Translation or Not:no

Date of Publication:2019-07-01