Publications: Foundations of Time-dependent Density Functional Theory


These papers are ordered by article relevance.

Linear Continuum Mechanics for Quantum Many-Body Systems
Jianmin Tao, Xianlong Gao, G. Vignale, I.V. Tokatly
Physical Review Letters 103, 86401 (2009)
A modified Ehrenfest formalism for efficient large scale ab-initio molecular dynamics
X. Andrade, A. Castro, D. Zueco, J.L. Alonso, P. Echenique, F. Falceto, A. Rubio
Journal Of Chemical Theory And Computation 5, 728 - 742 (2009)
Time dependent density functional theory
A. Rubio, M.A.L. Marques
Physical Chemistry Chemical Physics 11, 4436 (2009)
Optical and magnetic properties of boron fullerenes
S. Botti, A. Castro, N.N. Lathiotakis, X. Andrade, M.A.L. Marques
Physical Chemistry Chemical Physics 11, 4523 - 4527 (2009)
Time-dependent current density functional theory via time-dependent deformation functional theory: a constrained search formulation in the time domain
I. V. Tokatly
Physical Chemistry Chemical Physics 11, 4621 - 4630 (2009)
Comment on ''Time-dependent current-density functional theory for generalized open quantum systems" by J. Yuen-Zhou, C. Rodríguez-Rosario and A. Aspuru-Guzik, Phys. Chem. Chem. Phys. 2009, 11, 4509
Roberto D'Agosta, Massimiliano Di Ventra
Physical Chemistry Chemical Physics (2009)
The challenge of predicting optical properties of biomolecules: what can we learn from time-dependent density-functional theory
A. Castro, M.A.L. Marques, D. Varsano, F. Sottile, A. Rubio
Comptes Rendus Physique 10, 469 - 490 (2009)
Absorption spectra of p-Nitrophenolate Anions in Vacuo and in Solution
M-B.S. Kirketerp, M.A. Petersen, M. Wanko, L.A. Espinosa Leal, H. Zettergren, F.M. Raymo, A. Rubio, M. Brøndsted Nielsen, S. Brøndsted Nielsen
Chemphyschem 10, 1207 - 1209 (2009)
Photo-excitation of a light-harvesting supra-molecular triad: a Time-Dependent DFT 
N. Spallanzani, C. A. Rozzi, D. Varsano, T. Baruah, M. R. Pederson, F. Manghi, A. Rubio
Journal Of Physical Chemistry B 113, 5345 - 5349 (2009)
Fingerprints of bonding motifs in DNA duplexes of adenine and thymine revealed from circular dichroism: synchrotron radiation experiments and TDDFT calculations
L. Nielsen, A. Holm, D. Varsano, U. Kadhana, S. Hoffmann, R. Di Felice, A. Rubio, S. Nielsen
Journal Of Physical Chemistry B 113, 9614 - 9619 (2009)
Photoabsorption spectra of small cationic xenon clusters from time-dependent density functional theory
M.J.T. Oliveira, F. Nogueira, M.A.L. Marques, A. Rubio
Journal of Chemical Physics 131, 214302 (2009)
Ab initio electronic and optical spectra of free-base porphyrins: the role of electronic correlation
M. Palummo, C. Hogan, P. Bagalá, F. Sottile, A. Rubio
Journal of Chemical Physics 131, 84101 (2009)
Femtosecond laser pulse shaping for enhanced ionization
A. Castro, E. Räsänen, A. Rubio, E.K.U. Gross
EPL-EUROPHYS LETT 87, 53001 (2009)