Titlesort descending Year
A Tutorial on Density Functional Theory 2003
Ab Initio Modelling of the Excited State Dynamics of Clusters and Nanostructures With Time-Dependent Density-Functional Theory: Linear and Nonlinear Regimes 2010
Ab initio molecular dynamics on the electronic Boltzmann equilibrium distribution 2010
About the relation of electron–electron interaction potentials with exchange and correlation functionals 2018
Acceleration of Quantum Optimal Control Theory Algorithms with Mixing Strategies 2009
Alignment-Dependent Ionization of N2, O2, and CO2 in Intense Laser Fields 2010
Analysis and control of the electronic motion with time-dependent density-functional theory: new developments in the octopus code 2013
Assessment of exchange- correlation functional for the calculation of dynamical properties of small clusters in time-dependent density functional theory 2001
Calculation of the optical spectrum of the Ti8 C12 and V8 C12 Met-Cars 2004
Can optical spectroscopy directly elucidate the ground state of C20? 2002
Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces 2008
Coherent quantum switch driven by optimized laser pulses 2008
Controlling the Dynamics of Many-Electron Systems from First Principles: A Combination of Optimal Control and Time-Dependent Density-Functional Theory 2012
Density Functional Study of the Structural and Electronic Properties of Aluminium-Lithium Clusters 2008
Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: application to polycyclic aromatic hydrocarbons 2007
Ehrenfest statistical dynamics in chemistry: study of decoherence effects 2018
Electron localization function for two-dimensional systems 2008
Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme 2015
Entropy and canonical ensemble of hybrid quantum classical systems 2020
Exact Coulomb Cutoff Technique for Supercell Calculations in Two Dimensions 2009