Publications: Foundations of Time-dependent Density Functional Theory


These papers are ordered by article relevance.

Dynamical Coulomb Blockade and the Derivative Discontinuity of Time-Dependent Density Functional Theory
S. Kurth, G. Stefanucci, E. Khosravi, C. Verdozzi, E.K.U. Gross
Physical Review Letters 104, 236801 (2010)
Ab Initio Molecular Dynamics on the Electronic Boltzmann Equilibrium Distribution
J.L. Alonso, A. Castro, P. Echenique, V. Polo, A. Rubio, D. Zueco
New Journal Of Physics 12, 083064 (2010)
Electronic properties of molecular solids: the peculiar case of solid Picene
Friedrich Roth, Matteo Gatti, Pierluigi Cudazzo, Mandy Grobosch, Benjamin Mahns, Bernd Büchner, Angel Rubio, Martin Knupfer
New Journal Of Physics 12, 103036 (2010)
Gauge-invariant formulation of spin-current density-functional theory
S. H. Abedinpour, G. Vignale, I. V. Tokatly
Physical Review B 81, 125123 (2010)
Continuum mechanics for quantum many-body systems: Linear response regime
X. Gao, J. Tao, G. Vignale, I.V. Tokatly
Physical Review B 81, 195106 (2010)
Antiadiabatic limit of the exchange-correlation kernels of an inhomogeneous electron gas
V. U. Nazarov, I. V. Tokatly, S. Pittalis, G. Vignale
Physical Review B 81, 245101 (2010)
Physical meaning of the natural orbitals: Analysis of exactly solvable models
N. Helbig, I.V. Tokatly, A. Rubio
Physical Review A 81, 022504 (2010)
Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids
F. D. Vila, D. A. Strubbe, Y. Takimoto, X. Andrade, A. Rubio, S. G. Louie, J.J. Rehr
Journal of Chemical Physics 133, 034111 (2010)
Time-dependent density functional approach for the calculation of inelastic x-ray scattering spectra of molecules
A. Sakko, A. Rubio , M. Hakala , K. Hämäläinen
Journal of Chemical Physics 133, 174111 (2010)
Ab initio modelling of the excited state dynamics of clusters and nanostructures with time-dependent density-functional theory: linear and nonlinear regimes
J.A. Alonso, A. Castro, A. Rubio
American Scientific Publishersp. 79 - 142 (2010)