Publications 2005

These papers are ordered by article relevance.

Tuning the conductance of single-walled carbon nanotubes by ion irradiation in the Anderson localization regime

C. Gómez-Navarro, P.J. de Pablo, J.Gómez-Herrero, B.Biel, F.J.Garcia-Vidal, A.Rubio, F. Flores
Nature Materials 4, 534 - 539 (2005)

Recovered Bandgap Absorption of Single-Walled Carbon Nanotubes in Acetone and Alcohols

A. Cao, S. Talapatra, Y. Y. Choi, R. Vajtai, P. M. Ajayan, A. Filin, P. Persans, A. Rubio
Advanced Materials 17, 147 - 150 (2005)

Optical Absorption in the Blue Fluorescent Protein: a First Principles Study

X. López, M.A.L. Marques, A. Castro, A. Rubio
Journal Of The American Chemical Society 127, 12329 - 12337 (2005)

Anderson localization in carbon nanotubes: defect density and temperature effects

B. Biel, F.J. Garcia-Vidal, A. Rubio, F.Flores
Physical Review Letters 95, 266801 - 4 (2005)

Fermi gap stabilization of an incommensurate two-dimensional superstructure

F. Schiller, J. Cordón, D. Vyalikh, A. Rubio, J. E. Ortega
Physical Review Letters 94, 16103 - 4 (2005)

Time-dependent quantum transport: a practical scheme using density functional theory

S. Kurth, G. Stefanucci, C.O. Almbladh, A. Rubio, E.K.U. Gross
Physical Review B 72, 35308 - 13 (2005)

Quantum many-body dynamics in a Lagrangian frame: I. Equations of motion and conservation laws

I. V. Tokatly
Physical Review B 71, 165104 (2005)

Quantum many-body dynamics in a Lagrangian frame: II. Geometric formulation of time-dependent density functional theory

I. V. Tokatly
Physical Review B 71, 165105 (2005)

Raman spectra of BN-nanotubes: Ab-initio and bond-polarization model calculations

L. Wirtz, M. Lazzeri, F. Mauri, A. Rubio
Physical Review B 71, 241402 - 4 (2005)

Calculating Absorption Shifts for Retinal Proteins: Computational Challenges

M. Wanko, M. Hoffmann, P. Strodel, A. Koslowski, W. Thiel, F. Neese, T. Frauenheim, M. Elstner
Journal Of Physical Chemistry B 109, 3606 - 3615 (2005)

Open shells in reduced-density-matrix-functional theory

N.N. Lathiotakis, N. Helbig, E.K.U. Gross
Physical Review A 72, 30501 (2005)

Differential virial theorem in relation to a sum rule for the exchange-correlation force in density-functional theory

A. Holas, N.H. March, A. Rubio
Journal of Chemical Physics 123, 194104 - 194107 (2005)

Dynamic interactions of fast ions with carbon nanotubes

D.J. Mowbray, Sangwoo Chung, Z.L. Mišković, F.O. Goodman, You-Nian Wang
Nuclear Instruments & Methods In Physics Research Section B-Beam Interactions With Materials And Atoms 230, 142 - 147 (2005)

TDDFT from molecules to solids: the role of long-range interactions

F. Sottile, F. Bruneval, A.G. Marinopoulos, L. Dash, S. Botti, V. Olevano, N. Vast, A. Rubio, L. Reining
International Journal Of Quantum Chemistry 102, 684 - 701 (2005)

Optical Absorption of hexagonal Boron Nitride and BN nanotubes

L. Wirtz, A. Marini, A. Rubio
AIP Conference Proceedings, Vol. 786, p. 391 - 395 (2005)