Astrochemistry Low-energy electron Cross Section Database

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.

GitHub repository

Initial Release Version

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.

Meet the ALeCS Team

PI: Brandt Gaches

Cosmic Origins Postdoctoral Fellow
Chalmers University of Technology

Stefano Bovino

Associate Professor
Sapienza University of Rome

Prasanta Gorai

Cosmic Origins Postdoctoral Fellow
Chalmers University of Technology & Gothenburg University

Tommaso Grassi

Max Planck Institute for Extraterrestrial Physics

Marco Padovani

INAF-Osservatorio Astrofisico di Arcetri

Stefan Geisse

Universidad de ConcepciĆ³n

Giulia Bovolenta

PhD Student
Universidad de ConcepciĆ³n

Claire Vallance

University of Oxford

David Heathcote

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.

ALeCS Publications

All in good time...