Wissenschaftliche Publikationen

Tancogne-Dejean, N.; Oliveira, M. J. T.; Rubio, A.: Self-consistent DFT + U method for real-space time-dependent density functional theory calculations. Physical Review B 96 (24), 245133 (2017)

Baldsiefen, T.; Cangi, A.; Eich, F. G.; Gross, E. K. U.: Exchange-correlation approximations for reduced-density-matrix-functional theory at finite temperature: Capturing magnetic phase transitions in the homogeneous electron gas. Physical Review A 96 (6), 062508 (2017)

Shi, L.; Rohringer, P.; Wanko, M.; Rubio, A.; Waßerroth, S.; Reich, S.; Cambré, S.; Wenseleers, W.; Ayala, P.; Pichler, T.: Electronic band gaps of confined linear carbon chains ranging from polyyne to carbyne. Physical Review Materials 1 (7), 075601 (2017)

Steber, A. L.; Pérez, C.; Temelso, B.; Shields, G. C.; Rijs, A. M.; Pate, B. H.; Kisiel, Z.; Schnell, M.: Capturing the Elusive Water Trimer from the Stepwise Growth of Water on the Surface of the Polycyclic Aromatic Hydrocarbon Acenaphthene. The Journal of Physical Chemistry Letters 8 (23), S. 5744 - 5750 (2017)

Schulz, E.-C.; Kaub, J.; Busse, F.; Mehrabi, P.; Müller-Werkmeister, H.; Pai, E. F.; Robertson, W.; Miller, R. J. D.: Protein crystals IR laser ablated from aqueous solution at high speed retain their diffractive properties: applications in high-speed serial crystallography. Journal of Applied Crystallography 50, S. 1773 - 1781 (2017)

Dimitrov, T.; Flick, J.; Ruggenthaler, M.; Rubio, A.: Exact functionals for correlated electron-photon systems. New Journal of Physics 19, 113036 (2017)

Fokin, A. A.; Zhuk, T. S.; Blomeyer, S.; Pérez, C.; Chernish, L. V.; Pashenko, A. E.; Antony, J.; Vishnevskiy, Y. V.; Berger, R. J. F.; Grimme, S. et al.; Logemann, C.; Schnell, M.; Mitzel, N. W.; Schreiner, P. R.: Intramolecular London Dispersion Interaction Effects on Gas-Phase and Solid-State Structures of Diamondoid Dimers. Journal of the American Chemical Society 139 (46), S. 16696 - 16707 (2017)

Majety, V. P.; Scrinzi, A.: Multielectron effects in strong-field ionization of CO2: Impact on differential photoelectron spectra. Physical Review A 96 (5), 053421 (2017)

Ridley, M.; Tuovinen, R.: Time-dependent Landauer-Büttiker approach to charge pumping in ac-driven graphene nanoribbons. Physical Review B 96 (19), 195429 (2017)

Rolf-Pissarczyk, S.; Yan, S.; Malavolti, L.; Burgess, J. A. J.; McMurtrie, G.; Loth, S.: Dynamical Negative Differential Resistance in Antiferromagnetically Coupled Few-Atom Spin Chains. Physical Review Letters 119 (21), 217201 (2017)

Ghiringhelli, L. M.; Carbogno, C.; Levchenko, S.; Mohamed, F.; Huhs, G.; Lüders, M.; Oliveira, M. J. T.; Scheffler, M.: Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats. npj Computational Materials 3, UNSP 46 (2017)

Randi, F.; Esposito, M.; Giusti, F.; Misochko, O.; Parmigiani, F.; Fausti, D.; Eckstein, M.: Probing the Fluctuations of Optical Properties in Time-Resolved Spectroscopy. Physical Review Letters 119 (18), 187403 (2017)

Hayes, S. A.; Epp, S. W.; Miller, R. J. D.: Femtosekunden-Elektronendiffraktion: Daumenkino der Moleküle. Physik in unserer Zeit 6 (48), S. 278 - 285 (2017)

Graneek, J. B.; Pérez, C.; Schnell, M.: Structural determination and population transfer of 4-nitroanisole by broadband microwave spectroscopy and tailored microwave pulses. The Journal of Chemical Physics 147 (15), 154306 (2017)

Hada, M.; Saito, S.; Tanaka, S.; Sato, R.; Masahiko, Y.; Mouri, K.; Matsuo, K.; Yamaguchi, S.; Hara, M.; Hayashi, Y. et al.; Röhricht, F.; Herges, R.; Shigeta, Y.; Onda, K.; Miller, R. J. D.: Structural Monitoring of the Onset of Excited-State Aromaticity in a Liquid Crystal Phase. Journal of the American Chemical Society 139 (44), S. 15792 - 15800 (2017)

Huang, Q.; Yi, Q.; Cao, Z.; Qi, R.; Loch, R.; Jonnard, P.; Wu, M.; Giglia, A.; Li, W.; Louis, E. et al.; Bijkerk, F.; Zhang, Z.; Wang, Z.: High Reflectance Nanoscale V/Sc Multilayer for Soft X-ray Water Window Region. Scientific Reports 7, 12929 (2017)

Okamoto, J.; Hu, W.; Cavalleri, A.; Mathey, L.: Transiently enhanced interlayer tunneling in optically driven high-T_c superconductors. Physical Review B 96 (14), S. 144505 (2017)

Kochman, M.; Bil, A.; Miller, R. J. D.: Mechanism Underlying the Nucleobase-Distinguishing Ability of Benzopyridopyrimidine (BPP). The Journal of Physical Chemistry A 121 (43), S. 8267 - 8279 (2017)

Pérez, C.; Steber, A. L.; Domingos, S. R.; Krin, A.; Schmitz, D.; Schnell, M.: Coherent Enantiomer‐Selective Population Enrichment Using Tailored Microwave Fields. Angewandte Chemie International Edition 56 (41), S. 12512 - 12517 (2017)

Choi, D.-J.; Robles, R.; Yan, S.; Burgess, J. A. J.; Rolf-Pissarczyk, S.; Gauyacq, J.-P.; Lorente, N.; Ternes, M.; Loth, S.: Building Complex Kondo Impurities by Manipulating Entangled Spin Chains. Nano Letters 17 (10), S. 6203 - 6209 (2017)