The multiconfiguration time-dependent Hartree–Fock method for quantum chemical calculations M Nest, T Klamroth, P Saalfrank
The Journal of chemical physics 122 (12), 124102, 2005
203 2005 Time-dependent configuration-interaction calculations of laser-pulse-driven many-electron dynamics: Controlled dipole switching in lithium cyanide P Krause, T Klamroth, P Saalfrank
The Journal of chemical physics 123 (7), 074105, 2005
143 2005 On the electronic structure of neutral and ionic azobenzenes and their possible role as surface mounted molecular switches G Füchsel, T Klamroth, J Dokić, P Saalfrank
The Journal of Physical Chemistry B 110 (33), 16337-16345, 2006
107 2006 Microscopic model of the optical absorption of carbon nanotubes functionalized with molecular spiropyran photoswitches E Malic, C Weber, M Richter, V Atalla, T Klamroth, P Saalfrank, S Reich, ...
Physical review letters 106 (9), 097401, 2011
86 2011 Inducing the rotation of a single phenyl ring with tunneling electrons N Henningsen, KJ Franke, IF Torrente, G Schulze, B Priewisch, ...
The Journal of Physical Chemistry C 111 (40), 14843-14848, 2007
86 2007 Molecular response properties from explicitly time-dependent configuration interaction methods P Krause, T Klamroth, P Saalfrank
The Journal of chemical physics 127 (3), 034107, 2007
84 2007 Luminescence detection of open‐shell transition‐metal ions by photoinduced electron transfer controlled by internal charge transfer of a receptor T Schwarze, H Müller, C Dosche, T Klamroth, W Mickler, A Kelling, ...
Angewandte Chemie International Edition 46 (10), 1671-1674, 2007
84 2007 Laser-driven electron transfer through metal-insulator-metal contacts: Time-dependent configuration interaction singles calculations for a jellium model T Klamroth
Physical Review B 68 (24), 245421, 2003
84 2003 Open-system density-matrix approach to image-potential dynamics of electrons at Cu (100): Energy-and time-resolved two-photon photoemission spectra T Klamroth, P Saalfrank, U Höfer
Physical Review B 64 (3), 035420, 2001
71 2001 Dissipative dynamics within the electronic friction approach: the femtosecond laser desorption of H 2/D 2 from Ru (0001) G Füchsel, T Klamroth, S Monturet, P Saalfrank
Physical Chemistry Chemical Physics 13 (19), 8659-8670, 2011
61 2011 Atomic-scale chemistry: Desorption of ammonia from Cu (111) induced by tunneling electrons L Bartels, M Wolf, T Klamroth, P Saalfrank, A Kühnle, G Meyer, KH Rieder
Chemical physics letters 313 (3-4), 544-552, 1999
59 1999 Optimal control of ultrafast laser driven many-electron dynamics in a polyatomic molecule: T Klamroth
The Journal of chemical physics 124 (14), 144310, 2006
57 2006 Electronic structure of the molecular switch tetra-tert-butyl-azobenzene adsorbed on Ag (111) P Tegeder, S Hagen, F Leyssner, MV Peters, S Hecht, T Klamroth, ...
Applied Physics A 88 (3), 465-472, 2007
55 2007 Explicitly time-dependent coupled cluster singles doubles calculations of laser-driven many-electron dynamics C Huber, T Klamroth
The Journal of chemical physics 134 (5), 054113, 2011
51 2011 Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory S Klinkusch, P Saalfrank, T Klamroth
The Journal of chemical physics 131 (11), 114304, 2009
51 2009 Photoisomerization ability of molecular switches adsorbed on Au (111): Comparison between azobenzene and stilbene derivatives F Leyssner, S Hagen, L Ovári, J Dokic, P Saalfrank, MV Peters, S Hecht, ...
The Journal of Physical Chemistry C 114 (2), 1231-1239, 2010
47 2010 Image charge effects in single-molecule junctions: Breaking of symmetries and negative-differential resistance in a benzene single-electron transistor K Kaasbjerg, K Flensberg
Physical Review B 84 (11), 115457, 2011
45 * 2011 Electronic structure of a subnanometer wide bottom-up fabricated graphene nanoribbon: End states, band gap, and dispersion C Bronner, F Leyssner, S Stremlau, M Utecht, P Saalfrank, T Klamroth, ...
Physical Review B 86 (8), 085444, 2012
42 2012 Time-dependent configuration-interaction calculations of laser-driven dynamics in presence of dissipation JC Tremblay, T Klamroth, P Saalfrank
The Journal of chemical physics 129 (8), 084302, 2008
42 2008 Correlated many-electron dynamics: Application to inelastic electron scattering at a metal film M Nest, T Klamroth
Physical Review A 72 (1), 012710, 2005
38 2005 