135 citations · 180 across the 3 of their papers we have counts for
5 papers
The CECAM Electronic Structure Library and the modular software development paradigm
Micael J. T. Oliveira, Nick Papior, Yann Pouillon +34
First-principles electronic structure calculations are very widely used thanks to the many successful software packages available. Their traditional coding paradigm is monolithic,…
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Nicolas Tancogne-Dejean, Micael J. T. Oliveira, Xavier Andrade +31
Over the last years extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high-degree of…
Real-time solutions of coupled Ehrenfest-Maxwell-Pauli-Kohn-Sham equations: fundamentals, implementation, and nano-optical applications
René Jestädt, Michael Ruggenthaler, Micael J. T. Oliveira +2
We present the theoretical foundations and the implementation details of a density-functional approach for coupled photons, electrons, and effective nuclei in non-relativistic quan…
Finite-Size Effects in the Absorption Spectra of a Single-Wall Carbon Nanotube
Jaime Silva, Micael J T Oliveira, Senentxu Lanceros-Mendez +1
The determination of the optical spectrum of single-wall carbon nanotubes (SWCNTs) is essential for the development of opto-electronic components and sensors with application in ma…
Band widths and gaps from the Tran-Blaha functional : Comparison with many-body perturbation theory
David Waroquiers, Aurélien Lherbier, Anna Miglio +6
For a set of ten crystalline materials (oxides and semiconductors), we compute the electronic band structures using the Tran-Blaha [Phys. Rev. Lett. 102, 226401 (2009)] (TB09) func…