Subjects
-Tags
-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.
ā 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.
ā 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.
DOI
10.21608/ejphysics.2021.60392.1063
Keywords
Lie algebra, Potential energy surface, Molecular Dynamics
Authors
Affiliation
Physics Dept.-National Research Center
Orcid
-Affiliation
physics department, faculty of science, ain shams university
Orcid
-Affiliation
Faculty of Science-Ain Shams University
Orcid
-Affiliation
Physics Department - Faculty of Science-Ain Shams University
Email
mshalaby@hotmail.com
Orcid
-Link
https://ejphysics.journals.ekb.eg/article_213926.html
Detail API
https://ejphysics.journals.ekb.eg/service?article_code=213926
Publication Title
Egyptian Journal of Physics
Publication Link
https://ejphysics.journals.ekb.eg/
MainTitle
Molecular dynamic Investigation of HN2 on a Potential Energy Surface designed by Lie Algebra Method