Publikationen

Zeitschriftenartikel

Density functional theory study of the α−γ phase transition in cerium: Role of electron correlation and f-orbital localization

M. Casadei, X. Ren, P. Rinke, A. Rubio, M. Scheffler

Physical Review B 93 (7), 075153 (2016)

MPG.PuRe

Zeitschriftenartikel

Proposed cavity Josephson plasmonics with complex-oxide heterostructures

Y. Laplace, S. Fernandez-Pena, S. Gariglio, J.-M. Triscone, A. Cavalleri

Physical Review B 93 (7), 075152 (2016)

MPG.PuRe

Zeitschriftenartikel

Complex multireference configuration interaction calculations for the K-vacancy Auger states of N^q+ (q = 2-5) ions

Y.-G. Peng, Y. Wu, L.-F. Zhu, S. B. Zhang, J.-G. Wang, H.-P. Liebermann, R. J. Buenker

The Journal of Chemical Physics 144 (5), 054306 (2016)

MPG.PuRe

Zeitschriftenartikel

Quantum Mechanical Wave Packet Dynamics at a Conical Intersection with Strong Vibrational Dissipation

H.-G. Duan, M. Thorwart

The Journal of Physical Chemistry Letters 7 (3), 382–386 (2016)

MPG.PuRe

Zeitschriftenartikel

Time-Resolved X-ray Spectroscopy in the Water Window: Elucidating Transient Valence Charge Distributions in an Aqueous Fe(II) Complex

B. E. V. Kuiken, H. Cho, K. Hong, M. Khalil, R. W. Schoenlein, T. K. Kim, N. Huse

The Journal of Physical Chemistry Letters 7 (3), 465–470 (2016)

MPG.PuRe

Zeitschriftenartikel

Inverse spin-Hall effect voltage generation by nonlinear spin-wave excitation

L. Feiler, K. Sentker, M. Brinker, N. Kuhlmann, F.-U. Stein, G. Meier

Physical Review B 93 (6), 064408 (2016)

MPG.PuRe

Zeitschriftenartikel

Femtosecond and nanometre visualization of structural dynamics in superheated nanoparticles

T. Gorkhover, S. Schorb, R. Coffee, M. Adolph, L. Foucar, D. Rupp, A. Aquila, J. D. Bozek, S. W. Epp, B. Erk, L. Gumprecht, L. Holmegaard, A. Hartmann, R. Hartmann, G. Hauser, P. Holl, A. Hömke, P. Johnsson, N. Kimmel, K.-U. Kühnel, M. Messerschmidt, C. Reich, A. Rouzée, B. Rudek, C. Schmidt, J. Schulz, H. Soltau, S. Stern, G. Weidenspointner, B. White, J. Küpper, L. Strüder, I. Schlichting, J. Ullrich, D. Rolles, A. Rudenko, T. Möller, C. Bostedt

Nature Photonics 10 (2), 93–98 (2016)

MPG.PuRe

Zeitschriftenartikel

Two-body problem of core-region coupled magnetic vortex stacks

M. Hänze, C. F. Adolff, S. Velten, M. Weigand, G. Meier

Physical Review B 93 (5), 054411 (2016)

MPG.PuRe

Zeitschriftenartikel

Photoinduced Absorption within Single-Walled Carbon Nanotube Systems

L. N. Glanzmann, D. J. Mowbray, D. G. F. del Valle, F. Scotognella, G. Lanzani, A. Rubio

The Journal of Physical Chemistry C 120 (3), 1926–1935 (2016)

MPG.PuRe

Zeitschriftenartikel

Energy transfer in structured and unstructured environments: Master equations beyond the Born-Markov approximations

J. Iles-Smith, A. Dijkstra, N. Lambert, A. Nazir

The Journal of Chemical Physics 144 (4), 044110 (2016)

MPG.PuRe

Zeitschriftenartikel

Chiral Analysis Using Broadband Rotational Spectroscopy

V. A. Shubert, D. Schmitz, C. Pérez, C. Medcraft, A. Krin, Domingos Sérgio R., D. Patterson, M. Schnell

The Journal of Physical Chemistry Letters 7 (2), 341–350 (2016)

MPG.PuRe

Zeitschriftenartikel

Interplay of Exciton Coupling and Large-Amplitude Motions in the Vibrational Circular Dichroism Spectrum of Dehydroquinidine

V. P. Nicu, Domingos Sérgio R., B. H. Strudwick, A. M. Brouwer, W. J. Buma

Chemistry – A European Journal 22 (2), 704–715 (2016)

MPG.PuRe

Zeitschriftenartikel

Wetting Camphor: Multi-Isotopic Substitution Identifies the Complementary Roles of Hydrogen Bonding and Dispersive Forces

C. Pérez, A. Krin, A. L. Steber, J. C. López, Z. Kisiel, M. Schnell

The Journal of Physical Chemistry Letters 7 (1), 154–160 (2016)

MPG.PuRe

Zeitschriftenartikel

Connecting structure, dynamics and viscosity in sheared soft colloidal liquids: a medley of anisotropic fluctuations

F. Westermeier, D. Pennicard, H. Hirsemann, U. H. Wagner, C. Rau, H. Graafsma, P. Schall, M. P. Lettinga, B. Struth

Soft Matter 12 (1), 171–180 (2016)

MPG.PuRe

Zeitschriftenartikel

Stroboscopic prethermalization in weakly interacting periodically driven systems

E. Canovi, M. Kollar, M. Eckstein

Physical Review E 93 (1), 012130 (2016)

MPG.PuRe

Zeitschriftenartikel

Structural dynamics: general discussion

P. Decleva, A. Orr-Ewing, M. Kowalewski, O. Kornilov, J. P. Marangos, H. J. Wörner, A. S. Johnson, R. Forbes, D. Rolles, D. Townsend, O. Schalk, S. Mai, T. J. Penfold, R. J. D. Miller, M. Centurion, K. Ueda, W. Domcke, P. M. Weber, K. K. Baeck, O. Travnikova, C. Liekhus-Schmaltz, J. A. P. Nunes, N. D. M. Neumark, O. Gessner, A. Stolow, A. Rudenko, P. K. Mishra, A. Kirrander, D. Dowek, F. Martín, A. Vibók, M. P. Minitti, B. Stankus, C. Burger

Faraday Discussions 194, 583–620 (2016)

MPG.PuRe

Zeitschriftenartikel

Stimulated X-ray Raman scattering – a critical assessment of the building block of nonlinear X-ray spectroscopy

V. Kimberg, A. Sanchez-Gonzalez, L. Mercadier, C. Weninger, A. Lutman, D. Ratner, R. N. Coffee, M. Bucher, M. Mucke, M. Agåker, C. Såthe, C. Bostedt, J. Nordgren, J.-E. Rubensson, N. Rohringer

Faraday Discussions 194, 305–324 (2016)

MPG.PuRe

Zeitschriftenartikel

A Comparative Study of Two Bicyclic Ethers, Eucalyptol and 1,4-Cineole, by Broadband Rotational Spectroscopy

C. Medcraft, M. Schnell

Zeitschrift für Physikalische Chemie: International journal of research in physical chemistry and chemical physics 230 (1), 1–14 (2016)

MPG.PuRe

Zeitschriftenartikel

Ultrafast imaging of photochemical dynamics: roadmap to a new conceptual basis for chemistry

R. J. D. Miller

Faraday Discussions 194, 777–828 (2016)

MPG.PuRe

Zeitschriftenartikel

Vibrational and condensed phase dynamics: general discussion

A. J. Orr-Ewing, O. Kornilov, T. I. Sølling, T. Keane, M. P. Minitti, H. J. Wörner, O. Schalk, G. M. Roberts, R. S. Minns, C. J. Milne, L. Miseikis, T. J. Penfold, R. J. D. Miller, W. Domcke, M. Centurion, K. Ueda, P. M. Weber, O. Gessner, D. M. Neumark, A. Stolow, J. Yano, S. Mukamel, V. G. Stavros

Faraday Discussions 194, 747–775 (2016)

MPG.PuRe

2015

Zeitschriftenartikel

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

X. Andrade, D. A. Strubbe, U. De Giovannini, A. H. Larsen, M. J. T. Oliveira, J. Alberdi-Rodriguez, A. Varas, I. Theophilou, N. Helbig, M. Verstraete, L. Stella, F. Nogueira, A. Aspuru-Guzik, A. Castro, M. A. L. Marques, A. Rubio

Physical Chemistry Chemical Physics 17 (47), 31371–31396 (2015)

MPG.PuRe

Zeitschriftenartikel

Many-body Green’s function theory for electron-phonon interactions: The Kadanoff-Baym approach to spectral properties of the Holstein dimer

N. Säkkinen, Y. Peng, H. Appel, R. van Leeuwen

The Journal of Chemical Physics 143 (23), 234102 (2015)

MPG.PuRe

Zeitschriftenartikel

Direct observation of collective modes coupled to molecular orbital–driven charge transfer

T. Ishikawa, S. Hayes, S. Keskin, G. Corthey, M. Hada, K. Pichugin, A. Marx, J. Hirscht, K. Shionuma, K. Onda, Y. Okimoto, S.-ya Koshihara, T. Yamamoto, H. Cui, M. Nomura, Y. Oshima, M. Abdel-Jawad, R. Kato, R. J. D. Miller

Science 350 (6267), 1501–1505 (2015)

MPG.PuRe

Zeitschriftenartikel

Kohn–Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space

J. Flick, M. Ruggenthaler, H. Appel, A. Rubio

Proceedings of the National Academy of Sciences of the United States of America 112 (50), 15285–15290 (2015)

MPG.PuRe

Zeitschriftenartikel

Ambient Mass Spectrometry Imaging with Picosecond Infrared Laser Ablation Electrospray Ionization (PIR-LAESI)

J. Zou, F. Talbot, A. Tata, L. Ermini, K. Franjic, M. Ventura, J. Zheng, H. Ginsberg, M. Post, D. R. Ifa, D. Jaffray, R. J. D. Miller, A. Zarrine-Afsar

Analytical Chemistry 87 (24), 12071–12079 (2015)

MPG.PuRe

Zeitschriftenartikel

Optical field terahertz amplitude modulation by graphene nanoribbons

H. Zhang, Y. Miyamoto, X. Chengc, A. Rubio

Nanoscale 7 (45), 19012–19017 (2015)

MPG.PuRe

Zeitschriftenartikel

Local vibrational coherences drive the primary photochemistry of vision

P. J. M. Johnson, A. Halpin, T. Morizumi, V. Prokhorenko, O. P. Ernst, R. J. D. Miller

Nature Chemistry 7 (12), 980–986 (2015)

MPG.PuRe

Zeitschriftenartikel

Overcoming bifurcation instability in high-repetition-rate Ho:YLF regenerative amplifiers

P. Krötz, A. Ruehl, G. Chatterjee, A.-L. Calendron, K. Murari, H. Cankaya, P. Li, F. X. Kärtner, I. Hartl, R. J. D. Miller

Optics Letters 40 (23), 5427–5430 (2015)

MPG.PuRe

Zeitschriftenartikel

Beyond the Hubbard bands in strongly correlated lattice bosons

H. U. R. Strand, M. Eckstein, P. Werner

Physical Review A 92 (6), 063602 (2015)

MPG.PuRe

Zeitschriftenartikel

Proposal for ultrafast switching of ferroelectrics using midinfrared pulses

A. Subedi

Physical Review B 92 (21), 214303 (2015)

MPG.PuRe

Zeitschriftenartikel

Effect of a Single Water Molecule on the Electronic Absorption by o- and p-Nitrophenolate: A Shift to the Red or to the Blue?

J. Houmøller, M. Wanko, A. Rubio, S. B. Nielsen

The Journal of Physical Chemistry A 119 (47), 11498–11503 (2015)

MPG.PuRe

Zeitschriftenartikel

Visualization of Multimerization and Self-Assembly of DNA-Functionalized Gold Nanoparticles Using In-Liquid Transmission Electron Microscopy

S. Keskin, S. Besztejan, G. Kassier, S. Manz, R. Bücker, S. Riekeberg, H. K. Trieu, A. Rentmeister, R. J. D. Miller

The Journal of Physical Chemistry Letters 6 (22), 4487–4492 (2015)

MPG.PuRe

Zeitschriftenartikel

Element-Specific Characterization of Transient Electronic Structure of Solvated Fe(II) Complexes with Time-Resolved Soft X-ray Absorption Spectroscopy

K. Hong, H. Cho, R. W. Schoenlein, T. K. Kim, N. Huse

Accounts of Chemical Research 48 (11), 2957–2966 (2015)

MPG.PuRe

Zeitschriftenartikel

Elucidating the Structure of Chiral Molecules by using Amplified Vibrational Circular Dichroism: From Theory to Experimental Realization

Domingos Sérgio R., F. Hartl, W. J. Buma, S. Woutersen

ChemPhysChem 16 (16), 3363–3373 (2015)

MPG.PuRe

Zeitschriftenartikel

Dynamics of screening in photodoped Mott insulators

D. Golež, M. Eckstein, P. Werner

Physical Review B 92 (19), 195123 (2015)

MPG.PuRe

Zeitschriftenartikel

Exciton recombination in one-dimensional organic Mott insulators

Z. Lenarčič, M. Eckstein, P. Prelovšek

Physical Review B 92 (20), 201104(R) (2015)

MPG.PuRe

Zeitschriftenartikel

Stabilization of magnetic helix in exchange-coupled thin films

L. V. Dzemiantsova, G. Meier, R. Röhlsberger

Scientific Reports 5, 16153 (2015)

MPG.PuRe

Zeitschriftenartikel

If You Can Get a Crystal Structure, Why Bother with Anything Else?

A. R. Pearson, D. von Stetten, N. Huse

Synchrotron Radiation News 28 (6), 10–14 (2015)

MPG.PuRe

Zeitschriftenartikel

Comparing XMCD and DFT with STM spin excitation spectroscopy for Fe and Co adatoms on Cu₂N/Cu(100)

M. Etzkorn, C. F. Hirjibehedin, A. Lehnert, S. Ouazi, S. Rusponi, S. Stepanow, P. Gambardella, C. Tieg, P. Thakur, A. I. Lichtenstein, A. B. Shick, S. Loth, A. J. Heinrich, H. Brune

Physical Review B 92 (18), 184406 (2015)

MPG.PuRe

Zeitschriftenartikel

Total correlations of the diagonal ensemble herald the many-body localization transition

J. Goold, C. Gogolin, S. R. Clark, J. Eisert, A. Scardicchio, A. Silva

Physical Review B 92 (18), 180202(R) (2015)

MPG.PuRe

Zeitschriftenartikel

Engineering Photophenomena in Large, 3D Structures Composed of Self-Assembled van der Waals Heterostructure Flakes

M. B. M. Krishna, M. K. L. Man, S. Vinod, C. Chin, T. Harada, J. Taha-Tijerina, C. S. Tiwary, P. Nguyen, P. Chang, T. N. Narayanan, A. Rubio, P. M. Ajayan, S. Talapatra, K. M. Dani

Advanced Optical Materials 3 (11), 1551–1556 (2015)

MPG.PuRe

Zeitschriftenartikel

A modular and compact portable mini-endstation for high-precision, high-speed fixed target serial crystallography at FEL and synchrotron sources

D. A. Sherrell, A. J. Foster, L. Hudson, B. Nutter, J. O'Hea, S. Nelson, O. Paré-Labrosse, S. Oghbaey, R. J. D. Miller, R. L. Owena

Journal of Synchrotron Radiation 22 (6), 1372–1378 (2015)

MPG.PuRe

Zeitschriftenartikel

Strong-coupling electron-phonon superconductivity in noncentrosymmetric quasi-one-dimensional K₂Cr₃As₃

A. Subedi

Physical Review B 92 (17), 174501 (2015)

MPG.PuRe

Zeitschriftenartikel

THz-Frequency Modulation of the Hubbard U in an Organic Mott Insulator

R. Singla, G. Cotugno, S. Kaiser, M. Först, M. Mitrano, H. Liu, A. Cartella, C. Manzoni, H. Okamoto, T. Hasegawa, S. R. Clark, D. Jaksch, A. Cavalleri

Physical Review Letters 115 (18), 187401 (2015)

MPG.PuRe

Zeitschriftenartikel

Insights into colour-tuning of chlorophyll optical response in green plants

J. Jornet-Somoza, J. Alberdi-Rodriguez, B. F. Milne, X. Andrade, M. A. L. Marques, F. Nogueira, M. J. T. Oliveira, J. J. P. Stewart, A. Rubio

Physical Chemistry Chemical Physics 17 (40), 26599–26606 (2015)

MPG.PuRe

Zeitschriftenartikel

The Soret absorption band of isolated chlorophyll a and b tagged with quaternary ammonium ions

M. H. Stockett, L. Musbat, C. Kjær, J. Houmøller, Y. Toker, A. Rubio, B. F. Milne, S. Brøndsted Nielsen

Physical Chemistry Chemical Physics 17 (39), 25793–25798 (2015)

MPG.PuRe

Zeitschriftenartikel

The strength of electron electron correlation in Cs₃C₆₀

L. Baldassarre, A. Perucchi, M. Mitrano, D. Nicoletti, C. Marini, D. Pontiroli, M. Mazzani, M. Aramini, M. Riccó, G. Giovannetti, M. Capone, S. Lupi

Scientific Reports 5, 15240 (2015)

MPG.PuRe

Zeitschriftenartikel

Communication: X-ray coherent diffractive imaging by immersion in nanodroplets

R. M. P. Tanyag, C. Bernando, C. F. Jones, C. Bacellar, K. R. Ferguson, D. Anielski, R. Boll, S. Carron, J. P. Cryan, L. Englert, S. W. Epp, B. Erk, L. Foucar, L. F. Gomez, R. Hartmann, D. M. Neumark, D. Rolles, B. Rudek, A. Rudenko, K. R. Siefermann, J. H. Ullrich, F. Weise, C. Bostedt, O. Gessner, A. F. Vilesov

Structural Dynamics 2 (5), 051102 (2015)

MPG.PuRe

Zeitschriftenartikel

Terahertz-driven linear electron acceleration

E. A. Nanni, W. R. Huang, K.-H. Hong, K. Ravi, A. Fallahi, G. Moriena, R. J. D. Miller, F. X. Kärtner

Nature Communications 6, 8486 (2015)

MPG.PuRe