| ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ... ADF. Available online: http://www. scm. com (accessed on 20 April 2020), 2014 | 482 | 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 | 308 | 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 | 294 | 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 | 255 | 2005 |
| Time-dependent density-functional theory for open systems X Zheng, F Wang, CY Yam, Y Mo, GH Chen Physical Review B—Condensed Matter and Materials Physics 75 (19), 195127, 2007 | 212 | 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 | 194 | 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 | 164 | 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 | 157 | 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 | 131 | 2009 |
| 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 | 104 | 2020 |
| 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 | 101 | 2004 |
| Theoretical Chemistry EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ... Vrije Universiteit, Amsterdam, The Netherlands https://www. scm. com, 2014 | 100 | 2014 |
| Closed-shell coupled-cluster theory with spin-orbit coupling F Wang, J Gauss, C van Wüllen The Journal of chemical physics 129 (6), 2008 | 96 | 2008 |
| 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 | 76 | 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 M2 (M= Tl, E113, Bi, E115): Direct comparisons of four-and two-component approaches in the framework of relativistic density functional theory 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-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 | 64 | 2007 |
| Density matrix based time-dependent density functional theory and the solution of its linear response in real time domain F Wang, CY Yam, GH Chen, K Fan The Journal of chemical physics 126 (13), 2007 | 58 | 2007 |
