Lista de obras -

A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations

artículo científico publicado en 2013

Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations

scholarly article in Physical Review B, vol. 89 no. 6, February 2014

Band widths and gaps from the Tran-Blaha functional: Comparison with many-body perturbation theory

scholarly article in Physical Review B, vol. 87 no. 7, February 2013

Benchmarking the AK13 Exchange Functional: Ionization Potentials and Electron Affinities

artículo científico publicado en 2014

Computational Benchmarking for Ultrafast Electron Dynamics: Wave Function Methods vs Density Functional Theory

artículo científico publicado en 2015

Insights into colour-tuning of chlorophyll optical response in green plants

artículo científico publicado en 2015

Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations

scientific article published on 25 July 2011

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

artículo científico publicado en 2020

On the Use of Neumann's Principle for the Calculation of the Polarizability Tensor of Nanostructures

artículo científico publicado en 2008

Photoabsorption spectra of small cationic xenon clusters from time-dependent density functional theory

artículo científico publicado en 2009

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems ⬇️

artículo científico publicado en 2015

Recent developments in libxc — A comprehensive library of functionals for density functional theory

artículo científico publicado en 2018

Self-consistent DFT+U method for real-space time-dependent density functional theory calculations

scholarly article in Physical Review B, vol. 96 no. 24, December 2017

The CECAM electronic structure library and the modular software development paradigm

artículo científico publicado en 2020

The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures

artículo científico publicado en 2008

Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project

artículo científico publicado en 2012

Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays ⬇️

artículo científico publicado en 2014

octopus: a tool for the application of time-dependent density functional theory ⬇️

artículo científico publicado en 2006

Lista de obras de

A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations

Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations

Band widths and gaps from the Tran-Blaha functional: Comparison with many-body perturbation theory

Benchmarking the AK13 Exchange Functional: Ionization Potentials and Electron Affinities

Computational Benchmarking for Ultrafast Electron Dynamics: Wave Function Methods vs Density Functional Theory

Insights into colour-tuning of chlorophyll optical response in green plants

Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

On the Use of Neumann's Principle for the Calculation of the Polarizability Tensor of Nanostructures

Photoabsorption spectra of small cationic xenon clusters from time-dependent density functional theory

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems ⬇️

Recent developments in libxc — A comprehensive library of functionals for density functional theory

Self-consistent DFT+U method for real-space time-dependent density functional theory calculations

The CECAM electronic structure library and the modular software development paradigm

The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures

Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project

Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays ⬇️

octopus: a tool for the application of time-dependent density functional theory ⬇️