Investigation of atomic, ionic structures and photoionization within theory of density functional framework

Subject of inquiry is atoms, positively and negatively charged ions of the Periodic Table. It has been found that numerous characteristics of atoms and ions obtained as an approximation with the exception of electrons self-action are in good agreement with the experiment and theoretical data accounting correlative interaction. Atoms dynamic responce has been obtained with respect for relaxation and reconstraction effects which approximate them to the experiment. A variety of atoms and ions characteristics have been obtained for first time within a single approach: affinity of energy to electron, energy of self-ionization and self-detachment states, electron density momentum, statistical and dynamic dipole polarizability and cross-sections. Compute programmes and algorithms have been introducedAvailable from VNTIC / VNTIC - Scientific & Technical Information Centre of RussiaSIGLERURussian Federatio