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
550 * 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
304 2004 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
281 2005 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
244 2005 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
211 2007 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
176 2003 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
161 2014 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
154 2005 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
128 2009 Structural and electronic properties of P Guo, ZY Ren, F Wang, J Bian, JG Han, GH Wang
The Journal of chemical physics 121 (24), 12265-12275, 2004
100 2004 Theoretical Chemistry EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
Vrije Universiteit, Amsterdam, The Netherlands https://www. scm. com, 2014
96 2014 ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, 2017 EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
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94 Closed-shell coupled-cluster theory with spin-orbit coupling F Wang, J Gauss, C van Wüllen
The Journal of chemical physics 129 (6), 2008
91 2008 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
88 2020 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
81 2003 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
75 2005 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
74 2004 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
72 2005 Spectroscopic constants of MH and W Liu, C van Wüllen, F Wang, L Li
The Journal of chemical physics 116 (9), 3626-3634, 2002
70 2002 Spin−Orbit Relativistic Time-Dependent Density Functional Calculations of the Metal and Ligand Pre-Edge XAS Intensities of Organotitanium Complexes: TiCl4 , Ti(η5 -C5 H5 )Cl3 , and Ti(η5 -C5 H … M Casarin, P Finetti, A Vittadini, F Wang, T Ziegler
The Journal of Physical Chemistry A 111 (24), 5270-5279, 2007
64 2007 