Spectroscopy and physics of atoms and molecules

Modeling the spectral shift of the higher-frequency Q-branch of the $\nu_1/2\nu_2$ CO$_2$ Fermi dyad using spherically symmetric potentials

A. A. Valeev

Volgograd State Technical University

Abstract: In this work is determined the type of spherically symmetric interaction potential of molecules and its parameters to reproduce the dependences of pressure and configurational internal energy of carbon dioxide on density and temperature. Using the change in potential during vibrational excitation, a model of experimental dependences of the spectral shift of the higher-frequency Q-branch of the $\nu_1/2\nu_2$ Fermi dyad on density is constructed.

Keywords: carbon dioxide, CARS, spectral shift, molecular dynamics, Mie potential.

Received: 12.04.2025
Revised: 19.05.2025
Accepted: 19.05.2025

DOI: 10.61011/OS.2025.06.60913.7532-25

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