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Updated: Jul 11, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Further stable methods for the calculation of partition functions in the superconfiguration approach
Brian G Wilson1, Franck Gilleron, Jean-Christophe Pain
1Lawrence Livermore National Laboratory, P.O. Box 808, Livermore, California 94550, USA.
Abstract:
The extension to recursion over holes of the Gilleron and Pain method for calculating partition functions of a canonical ensemble of noninteracting bound electrons is presented as well as a generalization for the efficient computation of collisional line broadening.
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