Journal Article (136)

Journal Article
The adiabatic limit of the exact factorization of the electron-nuclear wave function
F. G. Eich, F. Agostini
The Journal of Chemical Physics 145 (5), 054110 (2016)
Journal Article
Dual Luminescence, Interligand Decay, and Nonradiative Electronic Relaxation of Cyclometalated Iridium Complexes in Solution
E. Pomarico, M. Silatani, F. Messina, O. Braem, A. Cannizzo, E. Barranoff, J. H. Klein, C. Lambert, M. Chergui
The Journal of Physical Chemistry C 120 (30), 16459–16469 (2016)
Journal Article
Stability of the Dirac cone in artificial graphene formed in quantum wells: a computational many-electron study
I. Kylänpää, F. Berardi, E. Räsänen, P. García-González, C. A. Rozzi, A. Rubio
New Journal of Physics 18 (8), 083014 (2016)
Journal Article
Josephson plasmonics in layered superconductors
Advances in Physics: X 1 (3), 387–411 (2016)
Journal Article
Single-shot diffraction data from the Mimivirus particle using an X-ray free-electron laser
T. Ekeberg, M. Svenda, M. M. Seibert, C. Abergel, F. R. N. C. Maia, V. Seltzer, D. P. DePonte, A. Aquila, J. Andreasson, B. Iwan, O. Jönsson, D. Westphal, D. Odić, I. Andersson, A. Barty, M. Liang, A. V. Martin, L. Gumprecht, H. Fleckenstein, S. Bajt, M. Barthelmess, N. Coppola, J.-M. Claverie, N. D. Loh, C. Bostedt, J. D. Bozek, J. Krzywinski, M. Messerschmidt, M. J. Bogan, C. Y. Hampton, R. G. Sierra, M. Frank, R. L. Shoeman, L. Lomb, L. Foucar, S. Epp, D. Rolles, A. Rudenko, R. Hartmann, A. Hartmann, N. Kimmel, P. Holl, G. Weidenspointner, B. Rudek, B. Erk, S. Kassemeyer, I. Schlichting, L. Strüder, J. Ullrich, C. Schmidt, F. Krasniqi, G. Hauser, C. Reich, H. Soltau, S. Schorb, H. Hirsemann, C. Wunderer, H. Graafsma, H. Chapman, J. Hajdu
Scientific Data 3, 160060 (2016)
Journal Article
A data set from flash X-ray imaging of carboxysomes
M. F. Hantke, D. Hasse, T. Ekeberg, K. John, M. Svenda, D. Loh, A. V. Martin, N. Timneanu, D. S. D. Larsson, G. van der Schot, G. H. Carlsson, M. Ingelman, J. Andreasson, D. Westphal, B. Iwan, C. Uetrecht, J. Bielecki, M. Liang, F. Stellato, D. P. DePonte, S. Bari, R. Hartmann, N. Kimmel, R. A. Kirian, M. M. Seibert, K. Mühlig, S. Schorb, K. Ferguson, C. Bostedt, S. Carron, J. D. Bozek, D. Rolles, A. Rudenko, L. Foucar, S. W. Epp, H. N. Chapman, A. Barty, I. Andersson, J. Hajdu, F. R. N. C. Maia
Scientific Data 3, 160061 (2016)
Journal Article
Exact maps in density functional theory for lattice models
New Journal of Physics 18 (8), 083004 (2016)
Journal Article
TakeTwo: an indexing algorithm suited to still images with known crystal parameters
H. M. Ginn, P. Roedig, A. Kuo, G. Evans, N. K. Sauter, O. Ernst, A. Meents, H. Müller-Werkmeister, R. J. D. Miller, D. I. Stuart
Acta Crystallographica Section D: Structural Biology 72 (8), 956–965 (2016)
Journal Article
Fixed target combined with spectral mapping: approaching 100% hit rates for serial crystallography
S. Oghbaey, A. Sarracini, H. M. Ginn, O. Pare-Labrosse, A. Kuo, A. Marx, S. W. Epp, D. A. Sherrell, B. T. Eger, Y. P. Zhong, R. Loch, V. Mariani, R. Alonso-Mori, S. Nelson, H. T. Lemke, R. L. Owen, A. R. Pearson, D. I. Stuart, O. P. Ernst, H. Müller-Werkmeister, R. J. D. Miller
Acta Crystallographica Section D: Structural Biology 72 (8), 944–955 (2016)
Journal Article
Photoinduced gap closure in an excitonic insulator
D. Golež, P. Werner, M. Eckstein
Physical Review B 94 (3), 035121 (2016)
Journal Article
Bandgap Modulation in Photoexcited Topological Insulator Bi2Te3 via Atomic Displacements
M. Hada, K. Norimatsu, S. Tanaka, S. Keskin, T. Tsuruta, K. Igarashi, T. Ishikawa, Y. Kayanuma, R. J. D. Miller, K. Onda, T. Sasagawa, S.-ya Koshihara, K. G. Nakamura
The Journal of Chemical Physics 145 (2), 024504 (2016)
Journal Article
Role of heat accumulation in the multi-shot damage of silicon irradiated with femtosecond XUV pulses at a 1 MHz repetition rate
R. Sobierajski, I. Jacyna, P. Dłużewski, M. T. Klepka, D. Klinger, J. B. Pełka, T. Burian, V. Hájková, L. Juha, K. Saksl, V. Vozda, I. Makhotkin, E. Louis, B. Faatz, K. Tiedtke, S. Toleikis, H. Enkisch, M. Hermann, S. Strobel, R. Loch, J. Chalupsky
Optics Express 24 (14), 15468–15477 (2016)
Journal Article
Flexibility unleashed in acyclic monoterpenes: conformational space of citronellal revealed by broadband rotational spectroscopy
Physical Chemistry Chemical Physics 18 (25), 16682–16689 (2016)
Journal Article
The Conformational Map of Volatile Anesthetics: Enflurane Revisited
C. Pérez, E. Caballero-Mancebo, A. Lesarri, E. J. Cocinero, I. Alkorta, R. D. Suenram, J.-U. Grabow, B. H. Pate
Chemistry – A European Journal 22 (28), 9804–9811 (2016)
Journal Article
Imaging single-molecule reaction intermediates stabilized by surface dissipation and entropy
A. Riss, A. P. Paz, S. Wickenburg, H.-Z. Tsai, D. G. D. Oteyza, A. J. Bradley, M. M. Ugeda, P. Gorman, H. S. Jung, M. F. Crommie, A. Rubio, F. R. Fischer
Nature Chemistry 8 (7), 678–683 (2016)
Journal Article
Electronic and Molecular Structure of the Transient Radical Photocatalyst Mn(CO)5 and Its Parent Compound Mn2(CO)10
H. Cho, K. Hong, M. L. Strader, J. H. Lee, R. W. Schoenlein, N. Huse, T. K. Kim
Inorganic Chemistry 55 (12), 5895–5903 (2016)
Journal Article
Electronic Structure of Low-Dimensional Carbon π-Systems
J. M. Garcia-Lastra, I. Boukahil, R. Qiao, A. Rubio, F. J. Himpsel
The Journal of Physical Chemistry C 120 (23), 12362–12368 (2016)
Journal Article
Improved ab initio calculation of surface second-harmonic generation from Si(111)(1×1):H
S. M. Anderson, N. Tancogne-Dejean, B. S. Mendoza, V. Véniard
Physical Review B 93 (23), 235304 (2016)
Journal Article
Stable Dirac semimetal in the allotropes of group-IV elements
W. Cao, P. Tang, S.-C. Zhang, W. Duan, A. Rubio
Physical Review B 93 (24), 241117(R) (2016)
Journal Article
Nonequilibrium self-energy functional approach to the dynamical Mott transition
F. Hofmann, M. Eckstein, M. Potthoff
Physical Review B 93 (23), 235104 (2016)
Journal Article
Conditions for Describing Triplet States in Reduced Density Matrix Functional Theory
I. Theophilou, N. N. Lathiotakis, N. Helbig
Journal of Chemical Theory and Computation 12 (6), 2668–2678 (2016)
Journal Article
K-shell photoionization of Li, Be+ and B2+
J. Li, J. D. Liu, S. B. Zhang, B. J. Ye
Modern Physics Letters B 30 (15), 1650204 (2016)
Journal Article
Matter-wave recombiners for trapped Bose-Einstein condensates
T. Berrada, S. van Frank, R. Bücker, T. Schumm, J.-F. Schaff, J. Schmiedmayer, B. Julía-Díaz, A. Polls
Physical Review A 93 (6), 063620 (2016)
Journal Article
Ultrafast energy- and momentum-resolved dynamics of magnetic correlations in the photo-doped Mott insulator Sr2IrO4
M. P. M. Dean, Y. Cao, X. Liu, S. Wall, D. Zhu, R. Mankowsky, V. Thampy, X. M. Chen, J. G. Vale, D. Casa, J. Kim, A. H. Said, P. Juhas, R. Alonso-Mori, J. M. Glownia, A. Robert, J. Robinson, M. Sikorski, S. Song, M. Kozina, H. Lemke, L. Patthey, S. Owada, T. Katayama, M. Yabashi, Y. Tanaka, T. Togashi, J. Liu, C. R. Serrao, B. J. Kim, L. Huber, C.-L. Chang, D. F. McMorrow, M. Först, J. P. Hill
Nature Materials 15 (6), 601–605 (2016)
Journal Article
Restoring interlayer Josephson coupling in La1.885Ba0.115CuO4 by charge transfer melting of stripe order
V. Khanna, R. Mankowsky, M. Petrich, H. Bromberger, S. A. Cavill, E. Möhr-Vorobeva, D. Nicoletti, Y. Laplace, G. D. Gu, J. P. Hill, M. Först, A. Cavalleri, S. S. Dhesi
Physical Review B 93 (22), 224522 (2016)
Journal Article
Non-equilibrium control of complex solids by nonlinear phononics
Reports on Progress in Physics 79 (6), 064503 (2016)
Journal Article
Confined linear carbon chains as a route to bulk carbyne
L. Shi, P. Rohringer, K. Suenaga, Y. Niimi, J. Kotakoski, J. C. Meyer, H. Peterlik, M. Wanko, S. Cahangirov, A. Rubio, Z. J. Lapin, L. Novotny, P. Ayala, T. Pichler
Nature Materials 15 (6), 634–639 (2016)
Journal Article
Subwavelength topological structures resulting from surface two-plasmon resonance by femtosecond laser exposure solid surface
H.-Y. Song, S.-B. Liu, H. Liu, Y. Wang, T. Chen, X.-M. Dong
Optics Express 24 (11), 12151–12165 (2016)
Journal Article
Thermometry of ultracold atoms via nonequilibrium work distributions
T. H. Johnson, F. Cosco, M. T. Mitchison, D. Jaksch, S. R. Clark
Physical Review A 93 (5), 053619 (2016)
Journal Article
Competing covalent and ionic bonding in Ge-Sb-Te phase change materials
S. Mukhopadhyay, J. Sun, A. Subedi, T. Siegrist, D. J. Singh
Scientific Reports 6, 25981 (2016)
Journal Article
Laser-Limited Signatures of Quantum Coherence
R. Tempelaar, A. Halpin, P. J. M. Johnson, J. Cai, R. S. Murphy, J. Knoester, R. J. D. Miller, T. L. C. Jansen
The Journal of Physical Chemistry A 120 (19), 3042–3048 (2016)
Journal Article
On the Exciton Coupling between Two Chlorophyll Pigments in the Absence of a Protein Environment: Intrinsic Effects Revealed by Theory and Experiment
B. F. Milne, C. Kjær, J. Houmøller, M. H. Stockett, Y. Toker, A. Rubio, S. B. Nielsen
Angewandte Chemie International Edition 55 (21), 6248–6251 (2016)
Journal Article
Generalized quantum master equations in and out of equilibrium: When can one win?
A. Kelly, A. Montoya-Castillo, L. Wang, T. E. Markland
The Journal of Chemical Physics 144 (18), 184105 (2016)
Journal Article
Ultrafast electron diffraction optimized for studying structural dynamics in thin films and monolayers
Structural Dynamics 3 (3), 034302 (2016)
Journal Article
High-Resolution Rotational Spectroscopy Study of the Smallest Sugar Dimer: Interplay of Hydrogen Bonds in the Glycolaldehyde Dimer
S. Zinn, C. Medcraft, T. Betz, M. Schnell
Angewandte Chemie International Edition 55 (20), 5975–5980 (2016)
Journal Article
The mechanical bond on carbon nanotubes: diameter-selective functionalization and effects on physical properties
E. Martínez-Periñán, A. de Juan, Y. Pouillon, C. Schierl, V. Strauss, N. Martín, A. Rubio, D. M. Guldi, E. Lorenzo, E. Pérez
Nanoscale 8 (17), 9254–9264 (2016)
Journal Article
Coupled motion of Xe clusters and quantum vortices in He nanodroplets
C. F. Jones, C. Bernando, R. M. P. Tanyag, C. Bacellar, K. R. Ferguson, L. F. Gomez, D. Anielski, A. Belkacem, R. Boll, J. Bozek, S. Carron, J. Cryan, L. Englert, S. W. Epp, B. Erk, L. Foucar, R. Hartmann, D. M. Neumark, D. Rolles, A. Rudenko, K. R. Siefermann, F. Weise, B. Rudek, F. P. Sturm, J. H. Ullrich, C. Bostedt, O. Gessner, A. F. Vilesov
Physical Review B 93 (18), 180510 (2016)
Journal Article
Stochastic stimulated electronic x-ray Raman spectroscopy
Structural Dynamics 3 (3), 034101 (2016)
Journal Article
Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra
J. Walkenhorst, U. De Giovannini, A. Castro, A. Rubio
European Physical Journal B 89 (5), 128 (2016)
Journal Article
Numerical study of spectral shaping in high energy Ho:YLF amplifiers
P. Krötz, A. Ruehl, K. Murari, H. Cankaya, F. X. Kärtner, I. Hartl, R. J. D. Miller
Optics Express 24 (9), 9905–9921 (2016)
Journal Article
Broadband terahertz spectroscopy of the insulator-metal transition driven by coherent lattice deformation at the SmNiO3/LaAlO3 interface
W. Hu, S. Catalano, M. Gibert, J.-M. Triscone, A. Cavalleri
Physical Review B 93 (16), 161107 (2016)
Journal Article
Direct Time-Domain Observation of Conformational Relaxation in Gas-Phase Cold Collisions
G. K. Drayna, C. Hallas, K. Wang, Domingos Sérgio R., S. Eibenberger, J. M. Doyle, D. Patterson
Angewandte Chemie International Edition 55 (16), 4957–4961 (2016)
Journal Article
How two-dimensional brick layer J-aggregates differ from linear ones: Excitonic properties and line broadening mechanisms
A. Dijkstra, H.-G. Duan, J. Knoester, K. A. Nelson, J. Cao
The Journal of Chemical Physics 144 (13), 134310 (2016)
Journal Article
Spectral Signatures of Ultrafast Spin Crossover in Single Crystal [FeII(bpy)3](PF6)2
R. L. Field, L. C. Liu, W. Gawelda , C. Lu, R. J. D. Miller
Chemistry – A European Journal 22 (15), 5118–5122 (2016)
Journal Article
Theory of light-enhanced phonon-mediated superconductivity
M. A. Sentef, A. F. Kemper, A. Georges, C. Kollath
Physical Review B 93 (14), 144506 (2016)
Journal Article
Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism
J. O. Richardson, C. Pérez, S. Lobsiger, A. A. Reid, B. Temelso, G. C. Shields, Z. Kisiel, D. J. Wales, B. H. Pate, S. C. Althorpe
Science 351 (6279), 1310–1313 (2016)
Journal Article
Charge localization in a diamine cation provides a test of energy functionals and self-interaction correction
X. Cheng, Y. Zhang, E. Jónsson, H. Jónsson, P. M. Weber
Nature Communications 7, 11013 (2016)
Journal Article
Bilayer SnS2: Tunable stacking sequence by charging and loading pressure
C. Bacaksiz, S. Cahangirov, A. Rubio, R. T. Senger, F. M. Peeters, H. Sahin
Physical Review B 93 (12), 125403 (2016)
Journal Article
Intracavity gain shaping in millijoule-level, high gain Ho:YLF regenerative amplifiers
K. Murari, H. Cankaya, P. Krötz, G. Cirmi, P. Li, A. Ruehl, I. Hartl, F. X. Kärtner
Optics Letters 41 (6), 1114–1117 (2016)
Journal Article
Tracking reaction dynamics in solution by pump–probe X-ray absorption spectroscopy and X-ray liquidography (solution scattering)
J. Kim, K. H. Kim, K. Y. Oang, J. H. Lee, K. Hong, H. Cho, N. Huse, R. W. Schoenlein, T. K. Kim, H. Ihee
Chemical Communications 52 (19), 3734–3749 (2016)
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