Adiabatic time-dependent density functional methods for excited state properties F Furche, R Ahlrichs The Journal of chemical physics 117 (16), 7433-7447, 2002 | 2551 | 2002 |
Property-optimized Gaussian basis sets for molecular response calculations D Rappoport, F Furche The Journal of chemical physics 133 (13), 2010 | 1848 | 2010 |
Gaussian basis sets of quadruple zeta valence quality for atoms H–Kr F Weigend, F Furche, R Ahlrichs The Journal of chemical physics 119 (24), 12753-12762, 2003 | 1255 | 2003 |
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations SG Balasubramani, GP Chen, S Coriani, M Diedenhofen, MS Frank, ... The Journal of chemical physics 152 (18), 2020 | 878 | 2020 |
Wiley Interdiscip F Furche, R Ahlrichs, C Hättig, W Klopper, M Sierka, F Weigend Rev.: Comput. Mol. Sci 4 (2), 91-100, 2014 | 862 | 2014 |
An efficient implementation of second analytical derivatives for density functional methods P Deglmann, F Furche, R Ahlrichs Chemical physics letters 362 (5-6), 511-518, 2002 | 739 | 2002 |
The structures of small gold cluster anions as determined by a combination of ion mobility measurements and density functional calculations F Furche, R Ahlrichs, P Weis, C Jacob, S Gilb, T Bierweiler, MM Kappes The Journal of chemical physics 117 (15), 6982-6990, 2002 | 662 | 2002 |
The performance of semilocal and hybrid density functionals in 3d transition-metal chemistry F Furche, JP Perdew The Journal of chemical physics 124 (4), 2006 | 657 | 2006 |
Molecular tests of the random phase approximation to the exchange-correlation energy functional F Furche Physical Review B 64 (19), 195120, 2001 | 561 | 2001 |
Turbomole F Furche, R Ahlrichs, C Hättig, W Klopper, M Sierka, F Weigend Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (2), 91-100, 2014 | 557 | 2014 |
Structures of small gold cluster cations Ion mobility measurements versus density functional calculations S Gilb, P Weis, F Furche, R Ahlrichs, MM Kappes The Journal of chemical physics 116 (10), 4094-4101, 2002 | 555 | 2002 |
Circular dichroism of helicenes investigated by time-dependent density functional theory F Furche, R Ahlrichs, C Wachsmann, E Weber, A Sobanski, F Vögtle, ... Journal of the American Chemical Society 122 (8), 1717-1724, 2000 | 543 | 2000 |
On the density matrix based approach to time-dependent density functional response theory F Furche The Journal of Chemical Physics 114 (14), 5982-5992, 2001 | 507 | 2001 |
Nuclear second analytical derivative calculations using auxiliary basis set expansions P Deglmann, K May, F Furche, R Ahlrichs Chemical physics letters 384 (1-3), 103-107, 2004 | 499 | 2004 |
Electron correlation methods based on the random phase approximation H Eshuis, JE Bates, F Furche Theoretical Chemistry Accounts 131, 1-18, 2012 | 467 | 2012 |
Density functional methods for excited states: equilibrium structure and electronic spectra F Furche, D Rappoport Theoretical and computational chemistry 16, 93-128, 2005 | 401* | 2005 |
Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+ MR MacDonald, JE Bates, JW Ziller, F Furche, WJ Evans Journal of the American Chemical Society 135 (26), 9857-9868, 2013 | 393 | 2013 |
Efficient characterization of stationary points on potential energy surfaces P Deglmann, F Furche The Journal of chemical physics 117 (21), 9535-9538, 2002 | 357 | 2002 |
Developing the random phase approximation into a practical post-Kohn–Sham correlation model F Furche The Journal of chemical physics 129 (11), 2008 | 331 | 2008 |
2D-3D transition of gold cluster anions resolved MP Johansson, A Lechtken, D Schooss, MM Kappes, F Furche Physical Review A—Atomic, Molecular, and Optical Physics 77 (5), 053202, 2008 | 327 | 2008 |