Energy Levels and Line Intensities of Diatomic Molecules. Application to Alkali Metal Molecules

1993 ◽  
Vol 66 (11) ◽  
pp. 3203-3234 ◽  
Author(s):  
Hajime Katô
Keyword(s):  
Alkali Metal ◽  
Diatomic Molecules ◽  
Energy Levels ◽  
Line Intensities

scholarly journals Photolysis of diatomic molecules as a source of atoms in planetary exospheres

2020 ◽  
Vol 633 ◽  
pp. A39 ◽  
Author(s):  
R. R. Valiev ◽  
A. A. Berezhnoy ◽  
I. S. Gritsenko ◽  
B. S. Merzlikin ◽  
V. N. Cherepanov ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Quantum Chemistry ◽  
Cross Sections ◽  
Diatomic Molecules ◽  
Astronomical Unit ◽  
Quiet Sun ◽  
Metal Atoms ◽  
The Cross ◽  
Planetary Exospheres

We calculated the cross sections of photolysis of OH, LiO, NaO, KO, HCl, LiCl, NaCl, KCl, HF, LiF, NaF, and KF molecules using quantum chemistry methods. The maximal values for photolysis cross sections of alkali metal monoxides are on the order of 10−18 cm2. The lifetimes of photolysis for quiet Sun at 1 astronomical unit are estimated as 2.0 × 105, 28, 5, 14, 2.1 × 105, 225, 42, 52, 2 × 106, 35 400, 486, and 30 400 s for OH, LiO, NaO, KO, HCl, LiCl, NaCl, KCl, HF, LiF, NaF, and KF, respectively. We performed a comparison between values of photolysis lifetimes obtained in this work and in previous studies. Based on such a comparison, our estimations of photolysis lifetimes of OH, HCl, and HF have an accuracy of about a factor of 2. We determined typical kinetic energies of main peaks of photolysis-generated metal atoms. Impact-produced LiO, NaO, KO, NaCl, and KCl molecules are destroyed in the lunar and Hermean exospheres almost completely during the first ballistic flight, while other considered molecules are more stable against destruction by photolysis.

scholarly journals Computation of Opacities for Diatomic Molecules

1994 ◽  
Vol 146 ◽  
pp. 282-295 ◽  
Author(s):  
Robert L. Kurucz
Keyword(s):  
Distribution Function ◽  
Least Squares ◽  
Diatomic Molecules ◽  
Energy Levels ◽  
Published Data ◽  
Molecular Line ◽  
Model Calculations ◽  
Line List ◽  
Thomas Fermi ◽  
Atomic Lines

In this section I briefly describe my efforts to improve the atomic and molecular line data. This work is described in more detail in Kurucz (1992a). In subsequent sections I briefly describe three methods for computing opacity and the models and spectra that result from using them.My model calculations in the 1970s used the distribution-function line opacity computed by Kurucz (1979a,b) from the line data of Kurucz & Peytremann (1975). We had computedgfvalues for 1.7 million atomic lines for sequences up through nickel using scaled-Thomas-Fermi-Dirac wavefunctions and eigenvectors determined from least squares Slater parameter fits to the observed energy levels. We also collected all published data ong fvalues and included them in the line list whenever they appeared to be more reliable than the computed data (that work is ongoing, but I am running behind).

scholarly journals Parametric Calculations of Radiative Decay Rates for Magnetic Dipole and Electric Quadrupole Transitions in Tm IV, Yb V, and Er IV

Atoms ◽  
2018 ◽  
Vol 6 (3) ◽  
pp. 52
Author(s):  
Wan-Ü Tchang-Brillet ◽  
Jean-François Wyart ◽  
Ali Meftah ◽  
Sofiane Ait Mammar
Keyword(s):  
Magnetic Dipole ◽  
Radiative Decay ◽  
Transition Probabilities ◽  
Energy Levels ◽  
Electric Quadrupole ◽  
Decay Rates ◽  
Line Intensities ◽  
Parametric Studies ◽  
On Line ◽  
Semi Empirical

Semi-empirical transition probabilities for magnetic dipole (M1) and electric quadrupole (E2) emission lines have been derived from parametric studies of experimental energy levels in Tm3+ (Tm IV), Yb4+ (Yb V), and Er3+ (Er IV), using Cowan codes. Results are compared with those existing from ab initio calculations or from more sophisticated semi-empirical calculations. Satisfactory agreements show that simple parametric calculations can provide good predictions on line intensities, provided that experimental levels are available, allowing reliable fits of energy parameters.

THE ROTATIONAL ENERGY LEVELS OF DIATOMIC MOLECULES IN 4Σ ELECTRONIC STATES

1962 ◽  
Vol 40 (5) ◽  
pp. 598-606 ◽  
Author(s):  
Jon T. Hougen
Keyword(s):  
Experimental Data ◽  
Diatomic Molecules ◽  
Energy Levels ◽  
Electronic States ◽  
Rotational Energy

Expressions are derived for the rotational energy levels of diatomic molecules in 4Σ states. These expressions contain two rho-type doubling parameters (γ's), and thus differ from earlier expressions which contain only one such parameter. The new expressions are in better agreement with the experimental data, though some discrepancy still exists.

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