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Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates

Paper Publications

[91] W. Liu*, F. Wang, and L. Li, The Beijing density functional (BDF) program package: Methodologies and applications, J. Theor. Comput. Chem. 2013, 2, 257-272.
[92] Z. Shuai*, W. Liu, W. Liang, Q. Shi, and H. Chen, Theoretical study of the low-lying electronic excited states for molecular aggregates, Sci. China Chem. 2013, 56, 1258-1262.
[93] Q. Sun, Y. Xiao, and W. Liu*, Exact two-component relativistic theory for NMR parameters: General formulation and pilot applica..., J. Chem. Phys. 2012, 137, 174105.
[94] W. Liu*, The `big picture' of relativistic molecular quantum mechanics, in Theory and Applications in Comp..., AIP Conf. Proc. 2012, 1456, 62-66.
[95] W. Liu*, Special issue of Chemical Physics on recent advances and applications of relativistic quantum che..., Chem. Phys. 2012, 395, 1.
[96] S. Mao, L. Cheng, W. Liu, and D. Mukherjee*, A spin-adapted size-extensive state-specific multi-reference perturbation theory with various par..., J. Chem. Phys. 2012, 136, 024106.
[97] W. Liu*, Perspectives of relativistic quantum chemistry: the negative energy cat smiles, Phys. Chem. Chem. Phys. 2012, 14, 35-48.
[98] Z. Li and W. Liu*, Theoretical and numerical assessments of spin-flip time-dependent density functional theory, J. Chem. Phys. 2012, 136, 024107.
[99] Z. Li, S. Shao, and W. Liu*, Relativistic explicit correlation: Coalescence conditions and practical suggestions, J. Chem. Phys. 2012, 136, 144117.
[100] Z. Li, Y. Xiao, and W. Liu*, On the spin separation of algebraic two-component relativistic Hamiltonians, J. Chem. Phys. 2012, 137, 154114.

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