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Fan Wang
Fan Wang
Professor, Sichuan University, P. R. China
Verified email at scu.edu.cn
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ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
ADF. Available online: http://www. scm. com (accessed on 20 April 2020), 2014
552*2014
Time-dependent density functional theory based on a noncollinear formulation of the exchange-correlation potential
F Wang, T Ziegler
The Journal of chemical physics 121 (24), 12191-12196, 2004
3062004
The calculation of excitation energies based on the relativistic two-component zeroth-order regular approximation and time-dependent density-functional with full use of symmetry
F Wang, T Ziegler, E van Lenthe, S van Gisbergen, EJ Baerends
The Journal of chemical physics 122 (20), 2005
2832005
A simplified relativistic time-dependent density-functional theory formalism for the calculations of excitation energies including spin-orbit coupling effect
F Wang, T Ziegler
The Journal of chemical physics 123 (15), 2005
2492005
Time-dependent density-functional theory for open systems
X Zheng, F Wang, CY Yam, Y Mo, GH Chen
Physical Review B 75 (19), 195127, 2007
2122007
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
1902003
Predicting phosphorescent lifetimes and zero-field splitting of organometallic complexes with time-dependent density functional theory including spin–orbit coupling
K Mori, TPM Goumans, E Van Lenthe, F Wang
Physical Chemistry Chemical Physics 16 (28), 14523-14530, 2014
1642014
The performance of time-dependent density functional theory based on a noncollinear exchange-correlation potential in the calculations of excitation energies
F Wang, T Ziegler
The Journal of chemical physics 122 (7), 2005
1552005
On the relation between time-dependent and variational density functional theory approaches for the determination of excitation energies and transition moments.
T Ziegler, M Seth, M Krykunov, J Autschbach, F Wang
The Journal of Chemical Physics 130 (15), 2009
1282009
BDF: A relativistic electronic structure program package
Y Zhang, B Suo, Z Wang, N Zhang, Z Li, Y Lei, W Zou, J Gao, D Peng, ...
The Journal of Chemical Physics 152 (6), 2020
1002020
Structural and electronic properties of clusters: A relativistic density functional investigation
P Guo, ZY Ren, F Wang, J Bian, JG Han, GH Wang
The Journal of chemical physics 121 (24), 12265-12275, 2004
1002004
Theoretical Chemistry
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
Vrije Universiteit, Amsterdam, The Netherlands https://www. scm. com, 2014
982014
ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, 2017
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
Google Scholar There is no corresponding record for this reference, 0
96
Closed-shell coupled-cluster theory with spin-orbit coupling
F Wang, J Gauss, C van Wüllen
The Journal of chemical physics 129 (6), 2008
932008
Comparison of Different Polarization Schemes in Open‐shell Relativistic Density Functional Calculations
F Wang, W Liu
Journal of the Chinese Chemical Society 50 (3B), 597-606, 2003
812003
Theoretical study of the electronic spectra of square-planar platinum (II) complexes based on the two-component relativistic time-dependent density-functional theory
F Wang, T Ziegler
The Journal of chemical physics 123 (19), 2005
752005
Excitation energies of some d1 systems calculated using time-dependent density functional theory: an implementation of open-shell TDDFT theory for doublet–doublet excitations
F Wang, T Ziegler*
Molecular Physics 102 (23-24), 2585-2595, 2004
742004
Spin–orbit relativistic time dependent density functional theory calculations for the description of core electron excitations: TiCl4 case study
G Fronzoni, M Stener, P Decleva, F Wang, T Ziegler, E Van Lenthe, ...
Chemical physics letters 416 (1-3), 56-63, 2005
722005
Spectroscopic constants of MH and (M=Tl, E113, Bi, E115): Direct comparisons of four- and two-component approaches in the framework of relativistic density …
W Liu, C van Wüllen, F Wang, L Li
The Journal of chemical physics 116 (9), 3626-3634, 2002
702002
Spin−Orbit Relativistic Time-Dependent Density Functional Calculations of the Metal and Ligand Pre-Edge XAS Intensities of Organotitanium Complexes:  TiCl4, Ti(η5-C5H5)Cl3, and Ti(η5-C5H …
M Casarin, P Finetti, A Vittadini, F Wang, T Ziegler
The Journal of Physical Chemistry A 111 (24), 5270-5279, 2007
642007
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