"Atoms at extreme conditions in cavities, plasmas, and endohedral confinements: Static and dynamical properties"
Who: Remigio Cabrera-Trujillo, Theoretische Chemie, PCI, University of Heidelberg
Place: Donostia International Physics Center
Date: Friday, 12 June 2020, 12:00
The electronic structure of atoms responds in unexpected ways when they are subjected to different environments. In particular, atoms confined by spherical and cylindrical cavities, or immersed in plasma exhibit an electronic structure different to that observed when the atoms are free. Examples of such environments are quantum dot, fullerenes, nanotubes or the interstellar medium. However, the description of the electronic structure for atoms or molecules under these circumstances demands new approaches to solve the corresponding integro-differential equations involved when solving the Schrödinger equation to determine properties of interest. The situation gets worst when one attempts to study time-dependent process. In this talk, I shall present the stage of the field. In particular I shall discuss the behavior of properties dependent on the Dipole and Generalized Oscillator Strength, e.g., polarizabilities, mean excitation energy, and stopping cross-section. Our results are based on a Hartree-Fock approach for the static properties of atoms confined by spherical and cylindrical cavities. We also discuss the change of the atom properties under plasma confinement. The treatment of electrons and nuclei dynamics, in time-dependent processes, for atoms at extreme conditions becomes more difficult. Here I introduce an approach based on the time?dependent variational principle to couple the electron and nuclei degrees of freedom, the so-called Electron-Nuclear Dynamics. Illustrative applications to atomic and molecular processes are presented with good agreement to available theoretical and experimental data
Work supported by DGAPA-PAPIIT IN-111-820 and DGAPA-PASPA programs.
Host: Ricardo Diez Muiño