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个人信息Personal Information
教授 博士生导师 硕士生导师
性别：男
出生日期：1966-03-14
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：Institute of Frontier and Interdiscipline Science
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
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[41]
Z. Cao, Z. Li*, F. Wang*, and W. Liu*,
Combining the spin-separated exact two-component relativistic Hamiltonian with the equation-of-motion coupled-cluster method for the treatment of spin–orbit splittings of light and heavy elements,
Phys. Chem. Chem. Phys.
2017,
19,
3713-3721.
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[42]
C. Huang, W. Liu*, Y. Xiao, and M. Hoffmann,
iVI: an iterative vector interaction method for large eigenvalue problems,
J. Comput. Chem.
2017,
38,
2481-2499.
-
[43]
B. Suo*, K. Shen, Z. Li, and W. Liu*,
Performance of TD-DFT for excited states of open-shell transition metal compounds,
J. Phys. Chem. A
2017,
121,
3929-3942.
-
[44]
Y. Lei, W. Liu*, and M. Hoffmann,
Further development of SDSPT2 for strongly correlated electrons,
Mol. Phys.
2017,
115,
2696-2707.
-
[45]
P. Cassam-Chenai*, B. Suo, and W. Liu*,
A quantum chemical definition of electron-nucleus correlation,
Theor. Chem. Acc.
2017,
136,
52.
-
[46]
A. Grofe, X. Chen, W. Liu, and J. Gao*,
Spin-multiplet components and energy splittings by multistate density functional theory,
J. Phys. Chem. Lett.
2017,
4838-4845.
- [47] Y. Xiao*, W. Liu, and J. Autschbach, Relativistic theories of NMR shielding, chapter 21 in Handbook of Relativistic Quantum Chemistry, ed. W. Liu (Springer, Berlin) 2017, 657-692.
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[48]
W. Liu*,
With-pair relativistic Hamiltonians,
chapter 10 in Handbook of Relativistic Quantum Chemistry, ed. W. Liu (Springer, Berlin)
2017,
345-373.
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[49]
K. F. Ng, W. Zou, W. Liu, and A. S.-C. Cheung*,
Electronic transitions of tantalum monofluoride,
J. Chem. Phys.
2017,
146,
094308.
-
[50]
W. Liu*,
No-pair relativistic Hamiltonians,
chapter 11 in Handbook of Relativistic Quantum Chemistry, ed. W. Liu (Springer, Berlin)
2017,
375-393.
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[51]
S. Shao*, Z. Li, and W. Liu,
Coalescence conditions of relativistic wave functions,
chapter 16 in Handbook of Relativistic Quantum Chemistry, ed. W. Liu (Springer, Berlin)
2017,
497-530.
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[52]
W. Liu*, S. Shao, and Z. Li,
Relativistic explicit correlation: problems and solutions,
chapter 17 in Handbook of Relativistic Quantum Chemistry, ed. W. Liu (Springer, Berlin)
2017,
531-545.
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[53]
W. Liu* K. Ruud*
Relativistic theories of nuclear spin-rotation tensor,
chapter 22 in Handbook of Relativistic Quantum Chemistry, ed. W. Liu (Springer, Berlin)
2017,
693-723.
-
[54]
S. Shao*, Z. Li*, and W. Liu,
Basic structures of relativistic wave functions,
chapter 15 in Handbook of Relativistic Quantum Chemistry, ed. W. Liu (Springer, Berlin)
2017,
481-496.
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[55]
Z. Li* and W. Liu*,
Spin separation of relativistic Hamiltonians,
chapter 13 in Handbook of Relativistic Quantum Chemistry, ed. W. Liu (Springer, Berlin)
2017,
441-447.
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[56]
H. Li, W. Liu*, and B. Suo,
Localization of open-shell molecular orbitals via least change from fragments to molecule,
J. Chem. Phys.
2017,
146,
104104.
- [57] W. Liu* and M. R. Hoffmann*, iCI: Iterative CI toward full CI, J. Chem. Theory Comput. 2016, 12, 1169-1178.
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[58]
W. Liu*,
Big picture of relativistic molecular quantum mechanics,
Nat. Sci. Rev.
2016,
3,
204-221.
-
[59]
R. Zhao, Y. Xiao, Y. Zhang, and W. Liu*,
Exact two-component relativistic energy band theory and application,
J. Chem. Phys.
2016,
144,
044105.
-
[60]
Z. Li* and W. Liu*,
Critical assessment of TD-DFT for excited states of open-shell systems: II. Doublet-quartet transitions,
J. Chem. Theory Comput.
2016,
12,
2517-2527.