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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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[141]
S. Wang, W. Liu, and W. H. E. Schwarz*,
On relativity, bonding and valence electron distribution,
J. Phys. Chem. A
2002,
106,
795-803.
-
[142]
W. Liu*, Ch. van Wüllen, Y.-J. Choi, and Y.-S. Lee,
Spectroscopic constants of Pb and eka-lead compounds: Comparison of different approaches,
Adv. Quantum Chem.
2001,
39,
325-355.
-
[143]
W. Kutzelnigg* and W. Liu,
Relativistic MCSCF by means of quasidegenerate direct perturbation theory. I. Theory,
J. Chem. Phys.
2000,
12,
3540-3558.
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[144]
W. Liu*, W. Kutzelnigg, and Ch. van Wüllen,
Relativistic MCSCF by means of quasi-degenerate direct perturbation theory. II. Preliminary application,
J. Chem. Phys.
2000,
112,
3559-3571.
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[145]
M. Dolg*, W. Liu, and S. Kalvoda,
Performance of relativistic density functional and ab initio pseudopotential approaches for systems with high spin multiplicities. Gadolinium diatomics GdX (X = H, N, O, F, P, S, Cl, Gd),
Int. J. Quantum Chem
2000,
76,
359-370.
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[146]
W. Liu* and Ch. van Wüllen,
Comment on “four-component relativistic density functional calculations of heavy diatomic molecules[J. Chem. Phys. 112, 8, (2000),3499-3506],
J. Chem. Phys.
2000,
113,
2506-2507.
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[147]
B. Metz, M. Schweizer, H. Stoll*, M. Dolg, and W. Liu,
A small-core multiconfiguration Dirac-Hartree-Fock-adjusted pseudopotential for Tl: application to TlX (X = F, Cl, Br, I),
Theor. Chem. Acc.
1999,
104,
22-28.
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[148]
W. Liu, R. Franke*, and M. Dolg,
Relativistic ab initio and density functional theory calculations on the mercury fluorides: Is HgF4 thermodynamically stable?,
Chem. Phys. Lett.
1999,
302,
231-239.
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[149]
W. Liu and Ch. van Wüllen*,
Spectroscopic constants of eka-gold (element 111) diatomic compounds: The importance of spin-orbit coupling,
J. Chem. Phys.
1999,
110,
3730-3735.
-
[150]
W. Liu, W. Küchle, and M. Dolg*,
Ab initio pseudopotential and density functional all-electron study of ionization and excitation energies of actinide atoms,
Phys. Rev. A
1998,
58,
1103-1110.
-
[151]
M. Koga*, W. Liu, M. Dolg, and P. Fulde,
Orbital localization and delocalization effects in the U 5f2 configuration: Impurity problem,
Phys. Rev. B
1998,
57,
10648-10654.
-
[152]
W. Liu* and M. Dolg,
Benchmark calculations on lanthanide atoms: Calibration of ab initio and density functional methods,
Phys. Rev. A
1998,
57,
1721-1728.
-
[153]
W. Liu, M. Dolg*, and P. Fulde,
Calculated properties of lanthanocence anions and the unusual electronic structure of their neutral counterparts,
Inorg. Chem.
1998,
37,
1067-1072.
-
[154]
W. Liu*, M. Dolg, and L. Li,
Fully relativistic density functional calculations of the ground and excited states of Yb, YbH, YbF, and YbO,
J. Chem. Phys.
1998,
108,
2886-2895.
-
[155]
W. Liu*, G. Hong, D. Dai, L. Li, and M. Dolg,
The Beijing 4-component density functional program package (BDF) and its application to EuO, EuS, YbO and YbS,
Theor. Chem. Acc
1997,
96,
75-83.
-
[156]
L. Li*
A method for population and bonding analyses in calculations with extended basis sets,
Theor. Chim. Acta
1997,
95,
81-95.
-
[157]
W. Liu, M. Dolg*, and P. Fulde,
Low-lying electronic states of lanthanocenes and actinocenes: M(C8H8)2 (M = Nd, Tb, Yb, U),
J. Chem. Phys.
1997,
107,
3584-3591.
- [158] W. Liu, G. Hong, L. Li*, and G. Xu, Nonrelativistic and relativistic density-functional calculations on EuO, Chinese Science Bulletin 1996, 41, 651-654.
- [159] W. Liu* and L. Li, Studies on the electronic structures of MX4 (M = Ti, Zr, Hf; X=Cl, Br), Acta Chimica Sinica 1995, 53, 431-437.