Plasma screening effects in molecular hydrogen: modified energies and lifetimes of doubly excited states

29th International Conference on Photonic, Electronic, and Atomic Collisions

Ordóñez-Lasso, Andrés F.^1 ; Sanz-Vicario, José L.^2 ; Martín, Fernando^1

Departamento de Química, Universidad Autónoma de Madrid, Módulo 13, Cantoblanco, Madrid

28049, Spain^1

Grupo de Física Atómica y Molecular, Instituto de Física, Universidad de Antioquia, Medellín, Colombia^2

关键词: Configuration interaction method;    Doubly excited state;    Ionization thresholds;    Molecular hydrogen;    Molecular symmetry;    Plasma screening effects;    Screened Coulomb interaction;    Two-electron integrals;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/635/7/072026/pdf
DOI  :  10.1088/1742-6596/635/7/072026

来源: IOP

【 摘 要 】

We perform a systematic study on the behaviour of energy positions and autoionization widths of metastable resonance states in the Hydrogen molecule subject to screened Coulomb interactions among all particles using an ab initio Feshbach configuration interaction method. We only focus on the Q1series of doubly excited states lying between the first H2+(1sσg) and the second H2+(2pσu) ionization thresholds, for several spectroscopic molecular symmetries1,3Σg u,1,3Πg, uand1,3Δg, u. Special attention is given to the efficient and accurate method for the evaluation of screened Coulomb two-electron integrals in molecules when using configurations in terms of molecular orbitals described using a B-spline basis.