Molecular dynamic Investigation of HN2 on a Potential Energy Surface designed by Lie Algebra Method

Sedik, Elwallid Shehata; Talaat, Mohamed Hassan; Moussa, Ali Helmy; Shalaby, Moustafa Ismail

doi:10.21608/ejphysics.2021.60392.1063

Molecular dynamic Investigation of HN2 on a Potential Energy Surface designed by Lie Algebra Method

Document Type : Original Article

Authors

¹ Physics Dept.-National Research Center

² physics department, faculty of science, ain shams university

³ Faculty of Science-Ain Shams University

⁴ Physics Department - Faculty of Science-Ain Shams University

10.21608/ejphysics.2021.60392.1063

Abstract

We have used Algebraic method especially Lie algebra to generate the contour plot of HN2 potential energy surface then we performed detailed dynamic calculations on Lie algebra potential surfaces (LPES) representing the ground electronic potentials of the collinear HN2 reaction. The Lie Surface generated produce accurate results for the life time. The structure was found to be metastable. The novel reaction dynamics are examined in detail.

– We have used Algebraic method especially Lie algebra to generate the contour plot of HN2 potential energy surface then we performed detailed dynamic calculations on Lie algebra potential surfaces (LPES) representing the ground electronic potentials of the collinear HN2 reaction. The Lie Surface generated produce accurate results for the life time. The structure was found to be metastable. The novel reaction dynamics are examined in detail.

– We have used Algebraic method especially Lie algebra to generate the contour plot of HN2 potential energy surface then we performed detailed dynamic calculations on Lie algebra potential surfaces (LPES) representing the ground electronic potentials of the collinear HN2 reaction. The Lie Surface generated produce accurate results for the life time. The structure was found to be metastable. The novel reaction dynamics are examined in detail.

Keywords