Zeitschriftenartikel (642)

2016
Zeitschriftenartikel
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)
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Zeitschriftenartikel
Exact maps in density functional theory for lattice models
T. Dimitrov, H. Appel, J. I. Fuks, A. Rubio
New Journal of Physics 18 (8), 083004 (2016)
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pre-print
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Zeitschriftenartikel
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)
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Zeitschriftenartikel
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)
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Zeitschriftenartikel
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)
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Zeitschriftenartikel
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)
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Zeitschriftenartikel
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)
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Zeitschriftenartikel
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)
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pre-print
Zeitschriftenartikel
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)
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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)
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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)
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pre-print
Zeitschriftenartikel
Theory of light-enhanced phonon-mediated superconductivity
M. A. Sentef, A. F. Kemper, A. Georges, C. Kollath
Physical Review B 93 (14), 144506 (2016)
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Zeitschriftenartikel
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)
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Zeitschriftenartikel
Validity of power functionals for a homogeneous electron gas in reduced-density-matrix-functional theory
A. Putaja, F. G. Eich, T. Baldsiefen, E. Räsänen
Physical Review A 93 (3), 032503 (2016)
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Zeitschriftenartikel
Anisotropic electronic, mechanical, and optical properties of monolayer WTe2
E. Torun, H. Sahin, S. Cahangirov, A. Rubio, F. M. Peeters
Journal of Applied Physics 119 (7), 074307 (2016)
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Determination of scattering time and of valley occupation in transition-metal dichalcogenides doped by field effect
T. Brumme, M. Calandra, F. Mauri
Physical Review B 93 (8), 081407(R) (2016)
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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)
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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)
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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)
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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)
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