H₂⁺ dynamical properties in the electronic states 7jσ, 8jσ, 8kσ, 7iπ, and 8jp

Abstract

We have theoretically calculated the H þ 2 dynamical properties in the electronic states 7jr, 8jr, 8kr, 7ip, and 8jp. More precisely, we have evaluated the H þ 2 rovibrational energies, x e , x e x e , x e y e , and c e using electronic energies obtained from the solution of Hamilton-Jacobi equation in association with the series established by Wind-Jaffe. The x e calculated values are in a good accordance with theoretical data available in the literature. Furthermore, the H þ 2 rovibrational energies, x e x e , x e y e , and c e values are shown here for the first time in the literature.

Breakup ofH2+by photon impact

“…Benchmark calculations of bound state rovibronic energies have been given in Refs. [14][15][16][17][18][19].…”

Calculation of the H2+ rovibrational energies and spectroscopic constants in the 2pπ, 3dσ, 4dσ, 4fπ, 4fσ, 5gσ, and 6iσ electronic states

“…Recently, from the H + 2 HJE electronic energies, we determined the rovibrational energies and spectroscopic constants for 1sσ , 5f π, 6gπ , 6iπ, 6iφ, 7iσ [16] and 7jσ , 8jσ , 8kσ , 7iπ, 5gσ , 8jπ [17] electronic states. In this work, we extend these studies with the theoretical calculation of the H + 2 dynamical and spectroscopic properties using the HJE electronic energies for the 2pπ, 3dσ , 4dσ , 4f π, 4f σ , 5gσ , and 6iσ electronic states.…”