Publications 2018


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These papers are ordered by article relevance.

Propagators for the Time-Dependent Kohn–Sham Equations: Multistep, Runge–Kutta, Exponential Runge–Kutta, and Commutator Free Magnus Methods
Adrián Gómez Pueyo,Miguel A. L. Marques,Angel Rubio, Alberto Castro
Journal Of Chemical Theory And Computation 14,6, 3040 - 3052 (2018)
Transient charge and energy flow in the wide-band limit
F. Covito,F. G. Eich,R. Tuovinen,M. A. Sentef, A. Rubio
Journal Of Chemical Theory And Computation 14 (5), 2495 - 2504 (2018)
Long triple carbon chains formation by heat treatment of graphene nanoribbon: Molecular dynamics study with revised Brenner potential
A. S. Sinitsa, I. V. Lebedeva, A. M. Popov, A. A. Knizhnik
Carbon 140, 543 - 556 (2018)
Spectroscopic Determination of the Electronic Structure of a Uranium Single-Ion Magnet
J.T. Coutinho, M. Perfetti, José J. Baldoví, M.A. Antunes, P.P. Hallmen, H. Bamberger, I. Crassee, M. Orlita, M. Almeida, J. van Slageren, L. C.J. Pereira
Chemistry-A European Journal Submitted, (2018)
AC transport in Correlated Quantum Dots: From Kondo to Coulomb blockade regime
G. Stefanucci, S. Kurth
Physical Review B 97, 245415 (2018)
Coupled forward-backward trajectory approach for non-equilibrium electron-ion dynamics
Shunsuke A. Sato, Aaron Kelly, Angel Rubio
Physical Review B 97, 134308 (2018)
Renormalization of single-ion magnetic anisotropy in the absence of Kondo effect
D. Jacob
Physical Review B 97, 075428 (2018)
Sublimable Single Ion Magnets based on Lanthanoid Quinolinate Complexes: the role of Intermolecular Interactions on their Thermal Stability
W. Cañon-Mancisidor, S. G. Miralles, G. Mínguez Espallargas, José J. Baldoví, A. Gaita-Ariño, E. Coronado
Inorganic Chemistry Submitted, (2018)
Ab initio nonrelativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics from weak to strong coupling
Christian Schäfer, Michael Ruggenthaler,, Angel Rubio
Physical Review A 98, 043801 (2018)
Multiple-orbital effects in laser-induced electron diffraction of aligned molecules
Faruk Krečinić, Philipp Wopperer, Biagio Frusteri, Felix Brauße, Jean-Gabriel Brisset, Umberto De Giovannini, Angel Rubio, Arnaud Rouzée,, Marc J. J. Vrakking
Physical Review A 98, 041401(R) (2018)
Real-time dynamics of Auger wave packets and decays in ultrafast charge migration processes
F. Covito, E. Perfetto, A. Rubio,, G. Stefanucci
Physical Review A 97 (6), 061401(R) (2018)
Magnetic Study of a Layered Lanthanide Hydroxide family: Ln8(OH)20Cl4•nH2O (Ln = Tb, Ho, Er)
Joana T. Coutinho, Claudia C.L. Pereira, Joaquim Marçalo, José J. Baldoví*, Manuel Almeida, Bernardo Monteiro*, Laura C.J. Pereira*
Dalton Transactions Submitted, (2018)
Implementation of slow magnetic relaxation in a SIM-MOF through a structural rearrangement
J. Castells-Gil, José J. Baldoví, C. Martí-Gastaldo, G. Mínguez Espallargas
Dalton Transactions Accepted, (2018)
A Definition of the Magnetic Transition Temperature Using Valence Bond Theory
Joaquim Jornet-Somoza, Mercè Deumal, Juan Borge,, Michael A. Robb
Journal Of Physical Chemistry A (Accepted), (2018)
Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials
Yoshiyuki Miyamoto, Angel Rubio
Journal Of The Physical Society Of Japan 87, 041016 (2018)