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

Author:

Gao Chun,Hu Shu-Xian,Han Huixian,Guo Guina,Suo Bingbing,Zou Wenli

Funder

National Natural Science Foundation of China

Foundation of President of China Academy of Engineering Physics

NASF

Double First-Class University Construction Project of Northwest University

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference72 articles.

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