| The ground state electronic energy of benzene JJ Eriksen, TA Anderson, JE Deustua, K Ghanem, D Hait, MR Hoffmann, ... The journal of physical chemistry letters 11 (20), 8922-8929, 2020 | 139 | 2020 |
| BDF: A relativistic electronic structure program package Y Zhang, B Suo, Z Wang, N Zhang, Z Li, Y Lei, W Zou, J Gao, D Peng, ... The Journal of Chemical Physics 152 (6), 2020 | 105 | 2020 |
| Iterative configuration interaction with selection N Zhang, W Liu, MR Hoffmann Journal of Chemical Theory and Computation 16 (4), 2296-2316, 2020 | 95 | 2020 |
| Further development of iCIPT2 for strongly correlated electrons N Zhang, W Liu, MR Hoffmann Journal of Chemical Theory and Computation 17 (2), 949-964, 2021 | 33 | 2021 |
| iCISCF: an iterative configuration interaction-based multiconfigurational self-consistent field theory for large active spaces Y Guo, N Zhang, Y Lei, W Liu Journal of Chemical Theory and Computation 17 (12), 7545-7561, 2021 | 22 | 2021 |
| The static–dynamic–static family of methods for strongly correlated electrons: methodology and benchmarking Y Song, Y Guo, Y Lei, N Zhang, W Liu New Horizons in Computational Chemistry Software, 181-236, 2022 | 21 | 2022 |
| SOiCI and iCISO: combining iterative configuration interaction with spin–orbit coupling in two ways N Zhang, Y Xiao, W Liu Journal of Physics: Condensed Matter 34 (22), 224007, 2022 | 14 | 2022 |
| SOiCISCF: Combining SOiCI and iCISCF for Variational Treatment of Spin–Orbit Coupling Y Guo, N Zhang, W Liu Journal of chemical theory and computation 19 (19), 6668-6685, 2023 | 6 | 2023 |
| Noncollinear density functional theory Z Pu, H Li, N Zhang, H Jiang, Y Gao, Y Xiao, Q Sun, Y Zhang, S Shao Physical Review Research 5 (1), 013036, 2023 | 6 | 2023 |
| Approach for noncollinear GGA kernels in closed-shell systems Z Pu, N Zhang, H Jiang, Y Xiao Physical Review B 105 (3), 035114, 2022 | 3 | 2022 |
| Unified Implementation of Relativistic Wave Function Methods: 4C-iCIPT2 as a Showcase N Zhang, W Liu arXiv preprint arXiv:2407.10479, 2024 | | 2024 |
| Supporting Information: The Ground State Electronic Energy of Benzene JJ Eriksen, TA Anderson, JE Deustua, K Ghanem, D Hait, MR Hoffmann, ... | | |
Wenjian LiuShandong University在 sdu.edu.cn 的电子邮件经过验证
Wenjian LiuShandong University在 sdu.edu.cn 的电子邮件经过验证
Yang GuoQitcs, Shandong University, Qingdao, China在 sdu.edu.cn 的电子邮件经过验证