THE PROGRAM COMPLEX FOR COMPUTATION OF SPECTROSCOPIC CHARACTERISTICS OF ATOMIC AND MOLECULAR GASES IN UV, VISIBLE AND IR SPECTRAL RANGE FOR A WIDE RANGE OF TEMPERATURES AND PRESSURES

Russia, , St-Petersburg, Pochtamtskaya st, 3 Federal State Unitary Enterprise «Research Institute of Physical Optics, Optics of Lasers and Informative Optical Systems», department of Optical Environment Research phone: (812) fax: (812) Andrew S. Abaturov, Eugeny A. Gavrilin, Natalja N. Naumova, Stanislav B. Petrov, Alexander P. Smirnov, Mikel B. Kiselev,

CONTENT of database Database consisting from sets of algorithms and complex of the original programs, allowing to calculate parameters of hyperfine structure in electronic-vibrational-rotational structure of diatomic molecules: electronic-vibrational-rotational spectrums (O 2, N 2, N 2 +, NO, CO, CN, OH, CH, AlO, SiO etc.); also absorption coefficients and cross-sections and emissivity atomic and molecular gases; thermodynamic and gas kinetic parameters and rate constants of chemical reactions.

CONDITIONS of calculations wavelengths 0,1—25,0 mkm ; temperatures 200—10000 K; pressure —10 atm. Calculations may be made both for conditions of local thermodynamic equilibrium, and for nonequilibrium conditions.

SPECTROSCOPIC atomic PARAMETERS strength of oscillator an atomic spectral line; intensity of atomic spectral line; energy of lower and upper levels of atomic transition; statistical weights of lower and upper levels of transition.

SPECTROSCOPIC CHARACTERISTICS of diatomic molecules set of molecular constants (coefficients Dunham): electronic term, vibrations frequency of molecule, constants of anharmonicity, vibrational constant; constant of spin-orbital interaction, constant of spin- rotational interaction and constant of spin-spin interaction; maximal value of vibrational quantum number; limiting value of rotational quantum number.

RADIATING CHARACTERISTICS of diatomic molecules strengths of electronic transitions; Franck-Condon factors of electronic transitions; Honl-London factors.

ADDITIONAL PARAMETERS of diatomic molecules quantum number  (  =0 for  etc.); quantum number S of total spin electrons; parity of electronic states homonuclear molecules; molecular weight components.

INPUT parameters structure radiating a component; total pressure of environment; partial pressure ; temperature; thickness of layer; spectral regions; spectral intervals of averaging.

Main menu of program complex

OUTPUT parameters wavelength of line centre; wavenumber of line centre; intensity of line; energy of lower level of line; absorption coefficients; absorption cross-sections; emissivity.

Honl-London factors for N 2 (B-A) system

 -doubling for N 2 (B-A) system

Line positions for N 2 (B-A) system

Line intensities for N 2 (B-A) system

Absorption coefficient for N 2 (B-A) system

Absorption coefficient for NO (B-X) system

Compare calculation with the literary data

CN(B-X)

ADVANTAGES of database wide range of temperatures; calculation of spectra electronic- vibrational-rotational transitions of diatomic molecules; account of hyperfine structure.

FOR CONECTION Russia, , St-Petersburg, Pochtamtskaya st, 3 Federal State Unitary Enterprise «Research Institute of Physical Optics, Optics of Lasers and Informative Optical Systems», department of Optical Environment Research phone: (812) fax: (812)