|
个人信息Personal Information
教授 博士生导师 硕士生导师
性别：男
毕业院校：Peking University
学历：博士研究生毕业
学位：博士生
在职信息：在职
所在单位：光学高等研究中心
入职时间：2018-12-25
学科：理论与计算化学
办公地点：Room 314, Building K1, Qingdao Campus, Shandong University
扫描关注
-
[101]
D. Mukherjee*, W. Liu, L. Cheng, and S. Mao,
A spin-adapted size-extensive state-specific multi-reference perturbation theory with various partitioning schemes. II. Molecular applications,
J. Chem. Phys.
2012,
136,
024106.
-
[102]
W. Liu*,
Perspectives of relativistic quantum chemistry: the negative energy cat smiles,
Phys. Chem. Chem. Phys.
2012,
14,
35-48.
-
[103]
W. Liu* and Z. Li,
Theoretical and numerical assessments of spin-flip time-dependent density functional theory,
J. Chem. Phys.
2012,
136,
024107.
- [104] W. Liu*, S. Shao, and Z. Li, Relativistic explicit correlation: Coalescence conditions and practical suggestions, J. Chem. Phys. 2012, 136, 144117.
-
[105]
W. Liu*, Y. Xiao, and Z. Li,
On the spin separation of algebraic two-component relativistic Hamiltonians,
J. Chem. Phys.
2012,
137,
154114.
-
[106]
D. Mukherjee*, W. Liu, L. Cheng, and S. Mao,,
A spin-adapted size-extensive state- specific multi-reference perturbation theory (I): Formal developments,
J. Chem. Phys.
2012,
136,
024105.
-
[107]
W. Liu*, Q. Sun, and Y. Xiao,
Fully relativistic theories and methods for NMR properties,
Theor. Chem. Acc.
2012,
131,
1080.
-
[108]
Z. Li, Y. Zhang, W. Liu*, and F. Wu,
Linear scaling time-dependent density functional theory based on the idea of "from fragments to molecule'',
J. Chem. Theory Comput.
2011,
7,
3643-3660.
-
[109]
X. Wan*, W. Liu*, J. Zheng, J. Cui, Q. Sun, and A. Liu,
Tuning Mesomorphic Properties and Handedness of Chiral Calamitic Liquid Crystals by Minimal Modification of the Effective Core,
Chirality
2011,
23,
E74-E83.
-
[110]
W. Kutzelnigg*, W. Liu*, and Q. Sun,
Comparison of restricted, unrestricted, inverse, and dual kinetic balances for four-component relativistic calculations,
Theor. Chem. Acc.
2011,
129,
423-436.
-
[111]
Z. Li, W. Liu*, Y. Zhang, and B. Suo,
Spin-adapted open-shell time-dependent density functional theory. II. Theory and pilot application,
J. Chem. Phys.
2011,
134,
134101.
-
[112]
W. Liu* and Z. Li,
Spin-adapted open-shell time-dependent density functional theory. III. An even better and simpler formulation,
J. Chem. Phys.
2011,
135,
194106.
-
[113]
W. Liu, M. Wei, and F. Chen*,
On the performance of the open-shell perturbation theory,
Sci. China Chem.
2011,
54,
446-453.
-
[114]
W. Liu* and Z. Li,
Spin-adapted open-shell random phase approximation and time-dependent density functional theory. I. Theory,
J. Chem. Phys.
2010,
133,
064106.
-
[115]
W. Liu*,
Ideas of relativistic quantum chemistry,
Mol. Phys.
2010,
108,
1679-1706.
-
[116]
W. Liu, K. Fu, F. He, and X. Li*,
Solvation energy of nonequilibrium polarization: Old question, new answer,
J. Theor. Comput. Chem.
2010,
9,
23-27.
-
[117]
J. E. Boggs*, T. Wang, W. Liu, Y. Liu, and W. Zou,
He@Mo6Cl8F6: A stable complex of Helium,
J. Phys. Chem. A
2010,
114,
646-651.
-
[118]
W. Xu, Y. Zhang, Q. Sun, W. Zou, and W. Liu*,
Excited states of OsO4: A comprehensive time-dependent relativistic density functional theory study,
J. Comput. Chem.
2010,
31,
532-551.
-
[119]
W. Liu*, Y. Xiao, and L. Cheng,
Four-component relativistic theory for nuclear magnetic shielding: Magnetically balanced gauge-including atomic orbitals,
J. Chem. Phys.
2009,
131,
244113.
-
[120]
W. Liu*, Y. Zhang, and W. Xu,
Time-dependent relativistic density functional study of Yb and YbO,
Sci. China Chem.
2009,
52,
1945-1953.