Optimized recursion relation for the computation of partition functions in the superconfiguration approach
Statistical Mechanics
2020-10-28 v1 Atomic Physics
Abstract
Partition functions of a canonical ensemble of non-interacting bound electrons are a key ingredient of the super-transition-array approach to the computation of radiative opacity. A few years ago, we published a robust and stable recursion relation for the calculation of such partition functions. In this paper, we propose an optimization of the latter method and explain how to implement it in practice. The formalism relies on the evaluation of elementary symmetric polynomials, which opens the way to further improvements.
Cite
@article{arxiv.2009.13518,
title = {Optimized recursion relation for the computation of partition functions in the superconfiguration approach},
author = {Jean-Christophe Pain and Franck Gilleron and Brian G. Wilson},
journal= {arXiv preprint arXiv:2009.13518},
year = {2020}
}
Comments
submitted to "High Energy Density Physics"