| GW 100: Benchmarking GoWo for molecular systems |
M. J. van Setten, F. Caruso, S. Sharifzadeh, X. Ren, M. Scheffler, F. Liu, J. Lischner, L. Lin,J. R. Deslippe, S. G. Louie, C. Yang, F. Weigend, J. B. Neaton, F. Evers, P. Rinke
|
submitted
|
| Ab initio spin-flip conductance of hydrogenated graphene nanoreibbons: spin- orbit interaction and scattering with local impurity sites |
J. Wilhelm, M. Walz and F. Evers
|
submitted, arXiv: 1504.06720
|
| Conductance saturation in highly conductive molecular junctions |
T. Yelin, R. Koryt ́ar, N. Sukenik, R. Vardimon, B. Kumar, C. Nuckolls, F. Evers, O. Tal
|
submitted
|
| Impact of Electrode Band Structure and Relativistic Effects on Transport through Pyridine-Linked Single Molecule Junctions |
O. Adak, R. Koryt ́ar, A. Y. Joe, F. Evers L. Venkataraman
|
Nano Lett. 15, 3716
|
| Spin-state dependent charge transport in arrays of gold nano particles and spin crossover molecules |
E. J. Devid, P. N. Marthinho, M. V. Kamalakar, I. Salitros, U. Prendergast, J.-F. Dayen, V.
Meded, T. Lemma, R. Gonzalez Prieto, F. Evers, T. E. Keyes, M. Ruben, B. Doudin, S.
J. van der Molen
|
ACS Nano, 2015, 9 , 4496
|
| Self-consistent hydrodynamic approach to nanoplasmonics: Resonance shifts and spill-out effects |
G. Toscano, C. Rockstuhl, F. Evers, H. Xu, N. Mortensen, M. Wubs
|
Nature Communications 6, 7132
|
| Kondo effect in binuclear metal-organic complexes with weakly interacting spins |
L. Yhang, A. Bagrets, D. Xenioti, R. Kor ́ytar, M. Schackert, T. Miyamachi, F. Schramm, O. Fuhr, R. Chandrasekar, M. Alouani, M. Ruben, W. Wulfhekel, F. Evers
|
Phys. Rev. B 91, 195424
|
| Exchange processes in the contact formation of Pb electrodes |
XH. Lin, A. Dasgupta, FQ. Xie, T. Schimmel, F. Evers, A. Gross
|
E.Chim. Acta 140, S.I.: SI p. 505-510 (2014)
|
| Electron-vibration interaction in the presence of a switchable Kondo resonance realized in a molecular junction |
D. Rakhmilevitch, R. Korytar, A. Bagrets, F. Evers, O. Tal
|
Phys. Rev. Lett. 113, 236603 (2014)
|
| Ab Initio Transport Calculations for Single-Atom Copper Junctions in the Presence of Hydrogen Chloride |
P. Schnäbele, R. Korytár, A. Bagrets, T. Roman, T. Schimmel, A. Groß, F. Evers
|
J. Phys. Chem. C
|
| Density of States in Graphene with Vacancies: Midgap Power Law and Frozen Multifractality |
V. Häfner, J. Schindler, N. Weik, T. Mayer, S. Balakrishnan, R. Narayanan, S. Bera, F. Evers
|
Phys. Rev. Lett. 113, 186802 (2014)
|
| Signature of the Dirac cone in the properties of linear oligoacenes |
R. Korytár, D. Xenioti, P. Schmitteckert, M. Alouani, F. Evers
|
Nat. Commun. 5, 5000 (2014)
|
| Ab initio quantum transport through armchair graphene nanoribbons: Streamlines in the current density |
J. Wilhelm, M. Walz, F. Evers
|
Phys. Rev. B 89, 195406 (2014)
|
| Current Patterns and Orbital Magnetism in Mesoscopic dc Transport |
M. Walz, J. Wilhelm, F. Evers
|
Phys.Rev.Lett. 113, 136602 (2014)
|
| Plasmons in Molecules |
S. Bernadotte, F. Evers, C. Jacob |
J. Phys. Chem. C. 117, 1863 (2013) |
| Invariants of the single impurity Anderson model and implications for conduc- tance functionals |
F. Evers, P. Schmitteckert |
Euro. Phys. Lett. 103, 47012 (2013) |
| Statistics of Conductances and Subleading Corrections to Scaling near the Integer Quantum Hall Transition |
H. Obuse, S. Bera, A. W. W. Ludwig, I. A. Gruzberg, F. Evers |
Euro. Phys. Lett. 104, 27014 (2013) |
| Transport properties of individual C60-molecules |
G. Geranton, C. Seiler, A. Bagrets, L. Venkataraman, F. Evers |
J. Chem. Phys. 139, 23 (2013)
|
| Simulations of Constant Current STM Images of Open-Shell Systems |
M. Kepenekian, R. Robles, R. Korytár, N. Lorente |
Imaging and Manipulating Mol.Orb.,3rd AtMol Workshop, Berlin 2012, Springer, pp 117 (2013) |
| Atomically Wired Molecular Junctions: Connecting a Single Organic Molecule by Chains of Metal Atoms |
T. Yelin, R. Vardimon, N. Kuritz, R. Korytár, A. Bagrets, F. Evers, L. Kronik, O. Tal |
Nano Letters 2013 13 (5), ppn.1956-1961
|
| Probing Majorana modes in the tunneling spectra of a resonant level |
R. Korytár, P. Schmitteckert |
J. Phys.: Condens. Matter 25 475304 |
| Spin locking at the apex of nano-scale platinum tips |
R. Korytár, F. Evers |
Surface Science, Dec 2013, Vol.618, pp.49-52
|
| Spin-polarized electron transport across metal-organic molecules: a density functional theory approach |
A. Bagrets |
J. Chem. Theory Comput., 2013, vol.9 (6), pp.2801-2815 |
| C58 on Au(111): A scanning tunneling microscopy study |
N. Bajales, S. Schmaus, T. Miyamashi, W. Wulfhekel, J. Wilhelm, M. Walz, M. Stendel, A. Bagrets, F. Evers, S. Ulas, B. Kern, A. Böttcher, and M. M. Kappes |
J. Chem. Phys. 138, 104703 (2013) |
| Ab initio simulations of scanning-tunneling-microscope images with embedding techniques and application to C58-dimers on Au(111) |
J. Wilhelm, M. Walz, M. Stendel, A. Bagrets, and F. Evers |
Phys. Chem. Chem. Phys., (2013), vol.15, pp. 6684-6690, Advance Article
|
| The GW Method for Quantum Chemistry applications: Theory and Implementation |
M.J. van Setten, F. Weigend, and F. Evers |
J. Chem. Theory Comput. 9, 232 (2013) |
| Exact Exponents for the Spin Quantum Hall Transition in the Presence of Multiple Edge Channels |
Roberto Bondesan, Ilya A. Gruzberg, Jesper L. Jacobsen, Hideaki Obuse, Hubert Saleur |
Phys. Rev. Lett. 108, 126801 (2012) |
| Finite Size Effects and Irrelevant Corrections to Scaling near the Integer Quantum Hall Transition |
Hideaki Obuse, Ilya A. Gruzberg, and Ferdinand Evers |
Phys. Rev. Lett. 109, 206804 (2012) |
| Many-body effects in magnetic inelastic electron tunneling spectroscopy |
R. Korytár, N. Lorente, and J.-P. Gauyacq |
Phys. Rev. B 85, 125434 (2012) |
| Electronic and magnetic properties of molecule-metal interfaces: Transition-metal phthalocyanines adsorbed on Ag(100) |
A. Mugarza, R. Robles, C. Krull, R. Korytár, N. Lorente, and P. Gambardella |
Phys. Rev. B 85, 155437 (2012) |
| Charge susceptibility in Kondo systems at half filling: DMRG study |
P. Schmitteckert and F. Evers |
Annalen der Physik, 524 L1-L4 (2012) |
| Single molecule magnetoresistance with combined antiferromagnetic and ferromagnetic electrodes |
Alexei Bagrets, Stefan Schmaus, Ali Jaafar, Detlef Kramczynski, Toyo Kazu Yamada, Mebarek Alouani, Wulf Wulfhekel and Ferdinand Evers |
Nano Letters 12, 5131–5136 (2012) |
| Transport calculations based on density functional theory, Friedel's sum rule, and the Kondo effect |
P. Tröster, P. Schmitteckert, and F. Evers |
Phys. Rev. B 85, 115409 (2012) |
| Quantum size effects in the atomistic structure of armchair nanoribbons |
A. Dasgupta, S. Bera, F. Evers, and M.J. van Setten |
Phys. Rev. B 85, 125433 (2012) |
| Giant magnetoresistance through a single molecule |
S. Schmaus, A. Bagrets, Y. Nahas, T. K. Yamada, A. Bork, M. Bowen, E. Beaurepaire, F. Evers, and W. Wulfhekel |
Nature Nanotechnology 6, 185-189 (2011) |
| Electrical control over the Fe(II) spin crossover in a single molecule: Theory and experiment |
V. Meded, A. Bagrets, K. Fink, R. Chandrasekar, M. Ruben, F. Evers, A. Bernand-Mantel, J. S. Seldenthuis, A. Beukman, and H. S. J. van der Zant |
Phys. Rev. B 83, 245415 (2011) |
| Broadening of the derivative discontinuity in density functional theory |
F. Evers and P. Schmitteckert |
Phys. Chem. Chem. Phys. 13, 14417-14420 (2011) |
| Wave function multifractality and dephasing at metal-insulator and quantum Hall transitions |
I.S. Burmistrov, S. Bera, F. Evers, I.V. Gornyi, A.D. Mirlin |
Annals of Physics 326 (2011) 1457–1478 |
| Evaluation of conduction eigenchannels of an adatom probed by an STM tip |
M. Polok, D.V. Fedorov, A. Bagrets, P. Zahn, and I. Mertig |
Phys. Rev. B 83, 245426 (2011) |
| Optical properties of sodium alanate, GW0 BSE calculations and thin film measurements |
M.J. van Setten, R. Gremaud, G. Brocks,
B. Dam, G. Kresse, and G.A. de Wijs |
Phys. Rev. B 83, 035422 (2011) |
| Lowering of surface melting temperature in atomic clusters with a nearly closed shell structure |
A. Bagrets, R. Werner, F. Evers, G. Schneider, D. Schooss, and P. Wölfle |
Phys. Rev. B 81, 075435 (2010) |
| Influence of conformation on conductance of biphenyl-dithiol single-molecule contacts |
A. Mishchenko, D. Vonlanthen, V. Meded, M. Buerkle, C. Li, I.V. Pobelov, A. Bagrets, J.K. Viljas, F. Pauly, F. Evers, M. Mayor, and T. Wandlowski |
Nano Letters 10, 156-163 (2010) |
| Anderson Transitions: Criticality, Symmetries, and Topologies |
A. D. Mirlin, F. Evers, I. V. Gornyi, and P. M. Ostrovsky |
International Journal of Modern Physics B 24, 1577 (2010) |
| Diffusion and criticality in undoped graphene with resonant scatterers |
P. M. Ostrovsky, M. Titov, S. Bera, I. V. Gornyi, A. D. Mirlin |
Phys. Rev. Lett. 105, 266803 (2010) |
| Elastic properties of graphene flakes: boundary effects and lattice vibrations |
S. Bera, A. Arnold, F. Evers, R. Narayanan, P. Woelfle |
Phys. Rev. B 82, 195445 (2010) |
| Binding in alkali and alkaline-earth tetrahydroborates: Special position of magnesium tetrahydroborate |
Z. Łodziana and M.J. van Setten |
Phys. Rev. B 81, 024117 (2010) |