Evaluation of Atomic & Molecular Data for Science and Technology

Konstantinos Katsonis

Goal: Evaluation of Atomic & Molecular (A&M) data is mandatory for numerous science and technology domains. Main applications of the present project results are meant for elaboration of Collisional-Radiative (C-R) and Detailed Global Models (DGM). These are largely applied for modeling of various plasma entities appearing in space, laboratory and industry. Although the data addressed here are useful / mandatory for various applications, we often present them in the context of a concrete case for which they were initially evaluated. This allows for their elementary evaluation, which is by no means complete.

Main domains and evaluating methods, except experimental ones whenever available, include :
1. For structure parameters and transition probabilities (Aij) a Quasi-Classical (Q-C) type code :
CbA, a code developed by K. Katsonis, based on the Coulomb Approximation introduced by D.R. Bates, using experimental energies. This code has been systematically used to obtain transition probabilities of multiplets belonging to neutral and ionized species of rare gases, whenever experimental excitation energies are available. Transition probability values obtained by this code are often in satisfactory agreement with available experimental data, thus leading in principle to more realistic theoretical spectra.
2. For cross sections of main processes as excitation, ionization and for their inverse processes as are de-excitation and recombinations (-radiative, -dielectronic, -few body) :
• Q-C methods: Q-C formulas introduced by H.W. Drawin folowing Gryziński work on three body problem solution and adapted by K. Katsonis for e-collision excitation / ionization.
• CTMC (3,4,5 body) developed par K. Katsonis and collaborators
• For high energies: Born approximation and for low energies: Wannier/Rost studies
3. For rates of collisional processes :
Proprietary codes for integration and parametrization
Although this project is created at the end of 2018, it takes advantage of previous work published elsewhere or unpublished yet.

Date: 23 November 2018