Dr. Miguel Marques - Publications
Years
These papers are ordered by article relevance. This list contains only the publications related to the Nano-bio Spectroscopy Group and might not be the complete list of the author.
- 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) - Special issue in honor of Eberhard K.U. Gross for his 65th birthday
- Miguel A.L. Marques,Fernando Nogueira,Angel Rubio, Carsten A. Ullrich
European Physical Journal B 91: 297 (2018) - Insights into colour-tuning of chlorophyll optical response in green plants
- Joaquim Jornet-Somoza, Joseba Alberdi-Rodriguez, Bruce F. Milne, Xavier Andrade, Miguel A. L. Marques, Fernando Nogueira, Micael J. T. Oliveira, James J. P. Stewart, Angel Rubio
Physical Chemistry Chemical Physics 17, 26599 - 26606 (2015) - Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
- Xavier Andrade, David A. Strubbe, Umberto De Giovannini, Ask Hjorth Larsen, Micael J. T. Oliveira, Joseba Alberdi-Rodriguez, Alejandro Varas, Iris Theophilou, Nicole Helbig, Matthieu Verstraete, Lorenzo Stella, Fernando Nogueira, Alán Aspuru-Guzik, Alberto Castro, Miguel A. L. Marques, Ángel Rubio
Physical Chemistry Chemical Physics 17, 31371-31396 - 31396 (2015) - Generalized Pauli constraints in reduced density matrix functional theory
- Iris Theophilou, Nektarios N. Lathiotakis, Miguel A. L. Marques, Nicole Helbig
Journal of Chemical Physics 142, 154108 (2015) - Atomic and electronic properties of quasi-one-dimensional MoS2 nanowires
- L. Fernandez Seivane, H. Barron, S. Botti, M.A.L. Marques, A. Rubio, X.
Lopez-Lozano
Journal Of Materials Research 28, 240 - 249 (2013) - Origin of the enhanced catalytic activity of MoS2 nanowires
- X. Lopez-Lozano, S. Botti, M.A.L. Marques, S. Mejia, M. Jose Yacaman, A. Rubio
Physical Review B (submitted), (2012) - Ab-initio angle and energy resolved photoelectron spectroscopy with time-dependent density-functional theory
- U. De Giovannini, D. Varsano, M. A. L. Marques, H. Appel, E. K. U. Gross, A. Rubio
Physical Review A 85, 062515 (2012) - Time-dependent density-functional theory in massively parallel computer architectures: the octopus project
- X. Andrade, J. Alberdi-Rodriguez,, D. A Strubbe, M.J T Oliveira,
F. Nogueira, A. Castro, J. Muguerza, A. Arruabarrena, S.G Louie,
A. Aspuru-Guzik, A. Rubio, M.A.L. Marques
Journal Of Physics-Condensed Matter 24, 233202 (2012) - Response functions in TDDFT: concepts and implementation
- D. A. Strubbe, L. Lehtovaara, A. Rubio, M. A. L. Marques,, S. G.
Louie
Fundamentals of Time Dependent Density Functional Theory, Lecture Notes in Physics, Ed. M.A.L. Marques, N. Maitra, F. Nogueira, E.K.U. Gross, and A. Rubio, Springer Vol. 837, (2012) - Density functional theory beyond the linear regime: Validating an adiabatic local density approximation
- N. Helbig,J. I. Fuks, M. Casula, M. J. Verstraete, M. A. L. Marques, I. V. Tokatly,, A. Rubio
Physical Review A 83, 032503 (2011) - Discontinuities of the Chemical Potential in Reduced Density Matrix Functional Theory
- Lathiotakis, N.N., Sharma, S., Helbig, N., Dewhurst, J.K., Marques, M.A.L., Eich, F., Baldsiefen, T., Zacarias, A., Gross, E.K.U.
Zeitschrift Fur Physikalische Chemie-International Journal Of Research In P 224, 467 - 480 (2010) - Time dependent density functional theory
- A. Rubio, M.A.L. Marques
Physical Chemistry Chemical Physics 11, 4436 (2009) - Towards a gauge invariant method for molecular chiroptical properties in TDDFT
- D. Varsano, L.A. Espinosa Leal, X. Andrade, M.A.L. Marques, R. di Felice, A. Rubio
Physical Chemistry Chemical Physics 11, 4481 - 4489 (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)