Resolving resonances in R-matrix calculations
Abstract:
We present a technique to obtain detailed resonance structures from R-matrix calculations of atomic cross sections for both collisional and radiative processes. The resolving resonances (RR) method relies on the QB method of Quigley-Berrington (Quigley L, Berrington K A and Pelan J 1998 Comput. Phys. Commun. 114 225) to find the position and width of resonances directly from the reactance matrix. Then one determines the symmetry parameters of these features and generates an energy mesh whereby fully resolved cross sections are calculated with minimum computational cost. The RR method is illustrated with the calculation of the photoionization cross sections and the unified recombination rate coefficients of Fe XXIV, O VI, and Fe XVII. The RR method reduces numerical errors arising from unresolved R-matrix cross sections in the computation of synthetic bound-free opacities, thermally averaged collision strengths and recombination rate coefficients.
Año de publicación:
2002
Keywords:
Fuente:

Tipo de documento:
Article
Estado:
Acceso restringido
Áreas de conocimiento:
- Mecánica cuántica
- Química teórica
Áreas temáticas:
- Electricidad y electrónica
- Física moderna
- Física aplicada