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Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates

Paper Publications

[11] L. Ye, H. Wang*, Y. Zhang, and W. Liu*, Self-adaptive real-time time-dependent density functional theory for x-ray absorptions, J. Chem. Phys. 2022, 157, 074106.
[12] J. Li, C. Wu*, Y. Lei, and W. Liu*, Tuning Catalyst-Free Photocontrolled Polymerization by Substitution: A Quantitative and Qualitati..., J. Phys. Chem. Lett. 2022, 13, 3290-3296.
[13] C. Wu, C. Nathaniel, L. Chern-Hooi, W. Liu*, M. Garret*, and B. Cyrille*, Rational Design of Photocatalysts for Controlled Polymerization: Effect of Structures on Photocat..., Chem. Rev. 2022, 122, 5476−5518.
[14] N. Zhang, Y. Xiao, and W. Liu*, SOiCI and iCISO: combining iterative configuration interaction with spin–orbit coupling in two w..., J. Phys.: Condens. Matter 2022, 34, 224007.
[15] Y. Guo, N. Zhang, Y. Lei, and W. Liu*, iCISCF: An Iterative Configuration Interaction-Based Multiconfigurational Self-Consistent Field T..., J. Chem. Theory Comput. 2021, 17, 7545-7561.
[16] Y. Song, Y. Guo, Y. Lei, N. Zhang, and W. Liu*, The Static–Dynamic–Static Family of Methods for Strongly Correlated Electrons: Methodology and ..., Topics in Current Chemistry. 2021, 379, 43.
[17] Z. Wang, C. Wu, and W. Liu*, NAC-TDDFT: Time-Dependent Density Functional Theory for Nonadiabatic Couplings, Acc. Chem. Res. 2021, 54, 3288-3297.
[18] Z. Wang and W. Liu *, iOI: An Iterative Orbital Interaction Approach for Solving the SelfConsistent Field Problem, J. Chem. Theory Comput. 2021, 17, 4831-4845.
[19] R. Zhao, A. Grofe, Z. Wang, P. Bao, X. Chen*, W. Liu*, and J. Gao*, Dynamic-then-Static Approach for Core Excitations of Open-Shell Molecules, J. Phys. Chem. Lett. 2021, 12, 7409-7417.
[20] Y. Lei, B. Suo, and W. Liu*, iCAS: Imposed Automatic Selection and Localization of Complete Active Spaces, J. Chem. Theory Comput. 2021, 17, 4846-4859.

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