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Wenjian Liu
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Year
Quasirelativistic theory equivalent to fully relativistic theory
W Kutzelnigg, W Liu
The Journal of chemical physics 123 (24), 241102, 2005
3892005
Ideas of relativistic quantum chemistry
W Liu
Molecular Physics 108 (13), 1679-1706, 2010
2882010
Exact two-component Hamiltonians revisited
W Liu, D Peng
The Journal of chemical physics 131 (3), 031104, 2009
2662009
The Beijing four-component density functional program package (BDF) and its application to EuO, EuS, YbO and YbS
W Liu, G Hong, D Dai, L Li, M Dolg
Theoretical Chemistry Accounts 96 (2), 75-83, 1997
2421997
Infinite-order quasirelativistic density functional method based on the exact matrix quasirelativistic theory
W Liu, D Peng
The Journal of chemical physics 125 (4), 044102, 2006
2412006
Making four-and two-component relativistic density functional methods fully equivalent based on the idea of “from atoms to molecule”
D Peng, W Liu, Y Xiao, L Cheng
The Journal of chemical physics 127 (10), 104106, 2007
2072007
Quasirelativistic theory. II. Theory at matrix level
W Liu, W Kutzelnigg
The Journal of chemical physics 126 (11), 114107, 2007
1462007
A small-core multiconfiguration Dirac–Hartree–Fock-adjusted pseudopotential for Tl–application to TlX (X= F, Cl, Br, I)
B Metz, M Schweizer, H Stoll, M Dolg, W Liu
Theoretical Chemistry Accounts 104 (1), 22-28, 2000
1442000
Morphological effects of the nanostructured ceria support on the activity and stability of CuO/CeO2 catalysts for the water-gas shift reaction
S Yao, et al.
Phys. Chem. Chem. Phys. 16, 17183-17195, 2014
1402014
The Beijing density functional (BDF) program package: Methodologies and applications
W Liu, F Wang, L Li
Journal of Theoretical and Computational Chemistry 2 (02), 257-272, 2003
1342003
iCI: Iterative CI toward full CI
W Liu, MR Hoffmann
Journal of chemical theory and computation 12 (3), 1169-1178, 2016
1242016
Unraveling the Dynamic Nature of a CuO/CeO2 Catalyst for CO Oxidation in Operando: A Combined Study of XANES (Fluorescence) and DRIFTS
S Yao, K Mudiyanselage, W Xu, AC Johnston-Peck, JC Hanson, T Wu, ...
ACS Catalysis 4 (6), 1650-1661, 2014
1192014
Quasirelativistic theory I. Theory in terms of a quasi-relativistic operator
W Kutzelnigg, W Liu
Molecular Physics 104 (13-14), 2225-2240, 2006
1162006
Time-dependent four-component relativistic density-functional theory for excitation energies. II. The exchange-correlation kernel
J Gao, W Zou, W Liu, Y Xiao, D Peng, B Song, C Liu
The Journal of chemical physics 123 (5), 054102, 2005
1122005
On the spin separation of algebraic two-component relativistic Hamiltonians
Z Li, Y Xiao, W Liu
The Journal of chemical physics 137 (15), 154114, 2012
1102012
Spectroscopic constants of gold and eka-gold (element 111) diatomic compounds: The importance of spin–orbit coupling
W Liu, C van Wüllen
The Journal of chemical physics 110 (8), 3730-3735, 1999
1091999
Time-dependent four-component relativistic density functional theory for excitation energies
J Gao, W Liu, B Song, C Liu
The Journal of chemical physics 121 (14), 6658-6666, 2004
1052004
Handbook of relativistic quantum chemistry
W Liu
Springer Berlin Heidelberg, 2017
1012017
Advances in relativistic molecular quantum mechanics
W Liu
Physics Reports 537 (2), 59-89, 2014
992014
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 …
M Dolg, W Liu, S Kalvoda
International Journal of Quantum Chemistry 76 (3), 359-370, 2000
912000
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