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

出版年份 2019 全文链接

标题

作者

关键词

Mercury, Oxidation state, Multi-reference, Relativistic effects

出版物

Volume 1160, Issue -, Pages 14-18

出版商

Elsevier BV

发表日期

2019-05-25

DOI

10.1016/j.comptc.2019.05.007

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