Publications: Foundations of Time-dependent Density Functional Theory
Years
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)