Email: ningzhang1024_ATA_gmail.com

Research Interests:

My research interests include：

(i) electronic structure theory of strongly correlated systems

(ii) relativistic quantum chemistry

(iii) software package development

Representative Publications:

1. Zhang, N.; Liu, W.*, Unified Implementation of Relativistic Wave Function Methods: 4C-iCIPT2 as a Showcase. J Chem. Theory Comput. 2024, 20, 9003.

2. Zhang, N.; Xiao, Y.; Liu, W.*, SOiCI and iCISO: combining iterative configuration interaction with spin–orbit coupling in two ways. J Phys.:Condens. Mat. 2022, 34, 224007.

3. Zhang, N.; Liu, W.*; Hoffmann, M. R., Further development of iCIPT2 for strongly correlated electrons . J Chem. Theory Comput. 2021, 17, 949.

4. Zhang, N.; Liu, W.*; Hoffmann, M. R., Iterative configuration interaction with selection. J Chem. Theory Comput. 2020, 16, 2296.