Potential Energy Curves and Generalized Oscillator Strength for Doubly Excited States of the Hydrogen Molecule

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

Santos, L.O.^1 ; Nascimento, R.F.^2 ; Rochaz, A.B.^3 ; De Castro Faria, N.V.^1 ; Jalbert, Ginette^1

Instituto de Física, Universidade Federal Do Rio de Janeiro, Cx. Postal 68528, Rio de Janeiro

21941-972, RJ, Brazil^1

Centro Federal de Educaão Tecnológica Celso Suckow da Fonseca, Petrópolis

25620-003, Brazil^2

Instituto de Qumica, Universidade Federal Do Rio de Janeiro, Cx. Postal 68528, Rio de Janeiro

21941-972, RJ, Brazil^3

关键词: Doubly excited state;    Generalized oscillator strength;    H2 molecule;    Hydrogen molecule;    Molecular state;    Multi reference configuration interactions;    Potential energy curves;    Transferred momentum;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/635/7/072087/pdf
DOI  :  10.1088/1742-6596/635/7/072087

来源: IOP

【 摘 要 】

In this work we report calculations of potential energy curves in the 1.2a.u. ≤ R ≤ 100a.u. range at the Multireference Configuration Interaction (MRCI) level for doubly excited states of the H2molecule. The molecular state which dissociates into two H(2s) atoms is clearly identified. The Generalized Oscillator Strength as a function of transferred momentum for three doubly excited states is also presented.