Zeitschriftenartikel (467)

Noncovalent Dimerization after Enediyne Cyclization on Au(111)
D. G. de Oteyza, A. P. Paz, Y.-C. Chen, Z. Pedramrazi, A. Riss, S. Wickenburg, H.-Z. Tsai, F. R. Fischer, M. F. Crommie, A. Rubio
Journal of the American Chemical Society 138 (34), 10963–10967 (2016)
Time-dependent density functional theory beyond Kohn–Sham Slater determinants
J. I. Fuks, S. E. B. Nielsen, M. Ruggenthaler, N. T. Maitra
Physical Chemistry Chemical Physics 18 (31), 20976–20985 (2016)
Systematic construction of density functionals based on matrix product state computations
New Journal of Physics 18 (8), 083039 (2016)
Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes
D. J. Mowbray, A. Pérez Paz, G. Ruiz-Soria, M. Sauer, P. Lacovig, M. Dalmiglio, S. Lizzit, K. Yanagi, A. Goldoni, P. Ayala, T. Pichler, A. Rubio
The Journal of Physical Chemistry C 120 (32), 18316–18322 (2016)
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)
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)
Exact maps in density functional theory for lattice models
New Journal of Physics 18 (8), 083004 (2016)
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)
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)
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)
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)
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)
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)
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)
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)
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)
Theory of light-enhanced phonon-mediated superconductivity
M. A. Sentef, A. F. Kemper, A. Georges, C. Kollath
Physical Review B 93 (14), 144506 (2016)
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)
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)
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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