The Astrochemistry low-energy electron cross section database is a compilation of electron-impact cross sections for molecules of astrochemical interest. This living database is an international collaboration between astronomers and laboratory and theoretical chemists.
The current version of the database includes the total ionization electron-impact cross sections, molecule structures, atomic orbitals and computed ionization potentials for over 150 neutral molecules. The cross sections are calculated using the binary-encounter Bethe model with atomic orbitals calculated using several different levels of quantum chemical theory. Ionization potentials are also presented at both the CCSD(T)/CBS and CAM-B3LPY/aug-cc-pVQZ levels.
Description: Total ionization electron-impact cross sections for a subset of the ALeCS database.
Cosmic Origins Postdoctoral Fellow
Chalmers University of Technology
Associate Professor
Sapienza University of Rome
Cosmic Origins Postdoctoral Fellow
Chalmers University of Technology & Gothenburg University
Scientist
Max Planck Institute for Extraterrestrial Physics
Scientist
INAF-Osservatorio Astrofisico di Arcetri
Professor
Universidad de Concepción
PhD Student
Universidad de Concepción
Professor
University of Oxford
Postdoctoral Researcher
University of Oxford
These quantum chemical calculations using the Gaussian16 were run on the Vera cluster, supported by the Chalmers Centre for Computational Science and Engineering (C3SE). BG acknowledges support from the Chalmers Initative on Cosmic Origins (CICO) at Chalmers University of Technology in Gothenburg, SE.
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