2014/07/18 by P. Wopperer, Phuong Mai Dinh, P. M. Dinh +3 · 1 citation
Physics and Astronomy · #Advanced Chemical Physics Studies #Atomic and Molecular Physics #Cluster (spacecraft) #Computational physics #Computer science #Density functional theory #Electron #Ionization #Laser-Matter Interactions and Applications #Observable #Physics #Quantum mechanics #Statistical physics #Time-dependent density functional theory #physics.atm-clus
paper · pdf · doi:10.1016/j.physrep.2014.07.003
104 pages, 63 figures, accepted in Physics Reports
arxiv created 2014/07/18 · openalex publication_date 2014/08/01 · arxiv updated 2015/06/11 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/06
Various ways to analyze the dynamical response of clusters and molecules to electromagnetic perturbations exist. Particularly rich information can be obtained from measuring the properties of electrons emitted in the course of the excitation dynamics. Such an analysis of electron signals covers total ionization, Photo-Electron Spectra, Photoelectron Angular Distributions, and ideally combined PES/PAD, with a long history in molecular physics, also increasingly used in cluster physics. Recent progress in the design of new light sources (high intensity and/or frequency, ultra short pulses) opens new possibilities for measurements and thus has renewed the interest on the analysis of dynamical scenarios through these observables, well beyond a simple access to a density of states. This, in turn, has motivated many theoretical investigations of the dynamics of electronic emission for molecules and clusters. A theoretical tool of choice is here Time-Dependent Density Functional Theory (TDDFT) propagated in real time and on a spatial grid, and augmented by a Self-Interaction Correction. This provides a pertinent, robust, and efficient description of electronic emission including the detailed pattern of PES and PAD. A direct comparison between experiments and well founded elaborate microscopic theories is thus readily possible, at variance with more demanding observables such as for example fragmentation or dissociation cross sections. The aim of this paper is to review the available experimental results motivating such studies, describe the theoretical tools developed on the basis of real-time and real-space TDDFT to address in a realistic manner the analysis of electronic emission following irradiation of clusters and molecules by various laser pulses, discuss representative results, and finally give some future directions of investigations.