|
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
-
[61]
M. Hoffmann, W. Liu*, and Y. Lei,
Further development of SDSPT2 for strongly correlated electrons,
Mol. Phys.
2017,
115,
2696-2707.
-
[62]
W. Liu*, B. Suo, and P. Cassam-Chenai*,
A quantum chemical definition of electron-nucleus correlation,
Theor. Chem. Acc.
2017,
136,
52.
-
[63]
J. Gao*, W. Liu, X. Chen, and A. Grofe,
Spin-multiplet components and energy splittings by multistate density functional theory,
J. Phys. Chem. Lett.
2017,
4838-4845.
- [64] J. Autschbach, W. Liu, and Y. Xiao*, Relativistic theories of NMR shielding, chapter 21 in Handbook of Relativistic Quantum Chemistry, ed. W. Liu (Springer, Berlin) 2017, 657-692.
-
[65]
W. Liu*,
With-pair relativistic Hamiltonians,
chapter 10 in Handbook of Relativistic Quantum Chemistry, ed. W. Liu (Springer, Berlin)
2017,
345-373.
-
[66]
A. S.-C. Cheung*, W. Liu, W. Zou, and K. F. Ng,
Electronic transitions of tantalum monofluoride,
J. Chem. Phys.
2017,
146,
094308.
-
[67]
W. Liu*,
No-pair relativistic Hamiltonians,
chapter 11 in Handbook of Relativistic Quantum Chemistry, ed. W. Liu (Springer, Berlin)
2017,
375-393.
-
[68]
W. Liu, Z. Li, and S. Shao*,
Coalescence conditions of relativistic wave functions,
chapter 16 in Handbook of Relativistic Quantum Chemistry, ed. W. Liu (Springer, Berlin)
2017,
497-530.
-
[69]
Z. Li, S. Shao, and W. Liu*,
Relativistic explicit correlation: problems and solutions,
chapter 17 in Handbook of Relativistic Quantum Chemistry, ed. W. Liu (Springer, Berlin)
2017,
531-545.
-
[70]
K. Ruud*, W. Liu*, and 1. Y. Xiao*,
Relativistic theories of nuclear spin-rotation tensor,
chapter 22 in Handbook of Relativistic Quantum Chemistry, ed. W. Liu (Springer, Berlin)
2017,
693-723.
-
[71]
W. Liu, Z. Li*, and S. Shao*,
Basic structures of relativistic wave functions,
chapter 15 in Handbook of Relativistic Quantum Chemistry, ed. W. Liu (Springer, Berlin)
2017,
481-496.
-
[72]
W. Liu* and Z. Li*,
Spin separation of relativistic Hamiltonians,
chapter 13 in Handbook of Relativistic Quantum Chemistry, ed. W. Liu (Springer, Berlin)
2017,
441-447.
-
[73]
B. Suo, W. Liu*, and H. Li,
Localization of open-shell molecular orbitals via least change from fragments to molecule,
J. Chem. Phys.
2017,
146,
104104.
- [74] M. R. Hoffmann* and W. Liu*, iCI: Iterative CI toward full CI, J. Chem. Theory Comput. 2016, 12, 1169-1178.
-
[75]
W. Liu*,
Big picture of relativistic molecular quantum mechanics,
Nat. Sci. Rev.
2016,
3,
204-221.
-
[76]
W. Liu*, Y. Zhang, Y. Xiao, and R. Zhao,
Exact two-component relativistic energy band theory and application,
J. Chem. Phys.
2016,
144,
044105.
-
[77]
W. Liu* and Z. Li*,
Critical assessment of TD-DFT for excited states of open-shell systems: II. Doublet-quartet transitions,
J. Chem. Theory Comput.
2016,
12,
2517-2527.
-
[78]
W. Liu* and Z. Li*,
Critical assessment of TD-DFT for excited states of open-shell systems: I. Doublet-doublet transitions,
J. Chem. Theory Comput.
2016,
12,
238-260.
-
[79]
W. Liu*, W. Huang, J. Ma*, L. Xie, W. Zhang, and X. Yuan,
Role of planar conformations in aggregation induced spectral shifts of supermolecular oligofluorenols in solutions and films: A combined experimental and MD/TD-DFT study,
J. Phys. Chem. B
2015,
119,
10316-10333.
-
[80]
W. Liu*, B. Suo, and P. Cassam-Chenai*,
Decoupling electrons and nuclei without the Born-Oppenheimer approximation: The electron-nucleus mean-field configuration-interaction method,
Phys. Rev. A
2015,
92,
012502.