CALCULATION OF RADIATION CHARACTERISTICS
OF DIATOMIC AND SOME TRIATOMIC MOLECULES

G. S. Romanov and V. I. Tolkach

UDC 533.9

A mathematical model and a software package that permit 
calculation of the chemical composition of complex mixtures in a wide 
range of temperatures and densities are developed. A thermodynamic 
databank for a large number (about 300) of molecules and radicals 
up to pentatomic ones inclusive is set up. The chemical composition 
is determined in the approximation of local thermodynamic equilibrium. 
A mathematical model and a software package for calculating electron-
vibration-rotation spectra of diatomic molecules are proposed.
A databank of optical characteristics of molecules makes it possible
to calculate spectra of about 50 of the most important molecules.
The calculation is performed in the approximation of Morse
potential-nonrigid rotator. A version for calculating spectra in the
approximation of the Rydberg-Klein-Reese potential is also set up.

JEPTER74920199914
JEPTER7492014