Partition functions for molecules and atoms

DOI

Partition functions and dissociation equilibrium constants are presented for 291 diatomic molecules for temperatures in the range from near absolute zero to 10000K, thus providing data for many diatomic molecules of astrophysical interest at low temperature. The calculations are based on molecular spectroscopic data from the book of Huber and Herzberg with significant improvements from the literature, especially updated data for ground states of many of the most important molecules by Irikura. Dissociation energies are collated from compilations of experimental and theoretical values. Partition functions for 284 species of atoms for all elements from H to U are also presented based on data collected at NIST. The calculated data are expected to be useful for modelling a range of low density astrophysical environments, especially star-forming regions, protoplanetary disks, the interstellar medium, and planetary and cool stellar atmospheres. The input data, which will be made available electronically, also provides a possible foundation for future improvement by the community.

Identifier
DOI http://doi.org/10.26093/cds/vizier.35880096
Source https://dc.g-vo.org/rr/q/lp/custom/CDS.VizieR/J/A+A/588/A96
Related Identifier https://cdsarc.cds.unistra.fr/viz-bin/cat/J/A+A/588/A96
Related Identifier http://vizier.cds.unistra.fr/viz-bin/VizieR-2?-source=J/A+A/588/A96
Metadata Access http://dc.g-vo.org/rr/q/pmh/pubreg.xml?verb=GetRecord&metadataPrefix=oai_b2find&identifier=ivo://CDS.VizieR/J/A+A/588/A96
Provenance
Creator Barklem P.S.; Collet R.
Publisher CDS
Publication Year 2016
Rights https://cds.unistra.fr/vizier-org/licences_vizier.html
OpenAccess true
Contact CDS support team <cds-question(at)unistra.fr>
Representation
Resource Type Dataset; AstroObjects
Discipline Astrophysics and Astronomy; Interdisciplinary Astronomy; Natural Sciences; Physics