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Modeling the spectral shift of the higher-frequency Q-branch of the ν1/2ν2 CO2 Fermi dyad using spherically symmetric potentials
Valeev A. A.
1
1Volgograd State Technical University, Volgograd, Russia
Email: antonvaleev@gmail.com
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 ν1/2ν2 Fermi dyad on density is constructed. Keywords: carbon dioxide, CARS, spectral shift, molecular dynamics, Mie potential.
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