Molecular dynamic Investigation of HN2 on a Potential Energy Surface designed by Lie Algebra Method
Sedik, E., Talaat, M., Moussa, A., Shalaby, M. (2022). Molecular dynamic Investigation of HN2 on a Potential Energy Surface designed by Lie Algebra Method. EKB Journal Management System, 50(1), 59-65. doi: 10.21608/ejphysics.2021.60392.1063
Elwallid Shehata Sedik; Mohamed Hassan Talaat; Ali Helmy Moussa; Moustafa Ismail Shalaby. "Molecular dynamic Investigation of HN2 on a Potential Energy Surface designed by Lie Algebra Method". EKB Journal Management System, 50, 1, 2022, 59-65. doi: 10.21608/ejphysics.2021.60392.1063
Sedik, E., Talaat, M., Moussa, A., Shalaby, M. (2022). 'Molecular dynamic Investigation of HN2 on a Potential Energy Surface designed by Lie Algebra Method', EKB Journal Management System, 50(1), pp. 59-65. doi: 10.21608/ejphysics.2021.60392.1063
Sedik, E., Talaat, M., Moussa, A., Shalaby, M. Molecular dynamic Investigation of HN2 on a Potential Energy Surface designed by Lie Algebra Method. EKB Journal Management System, 2022; 50(1): 59-65. doi: 10.21608/ejphysics.2021.60392.1063

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

Egyptian Journal of Physics
Article 5, Volume 50, Issue 1, 2022, Page 59-65  XML PDF (2.91 MB)
Document Type: Original Article
DOI: 10.21608/ejphysics.2021.60392.1063
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Authors
Elwallid Shehata Sedik email 1; Mohamed Hassan Talaat2; Ali Helmy Moussa3; Moustafa Ismail Shalaby4
1Physics Dept.-National Research Center
2physics department, faculty of science, ain shams university
3Faculty of Science-Ain Shams University
4Physics Department - Faculty of Science-Ain Shams University
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
Lie algebra; Potential energy surface; Molecular dynamics
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