MOLGW
Description
MOLGW is a code that implements the many-body perturbation theory (MBPT) to describe the excited electronic states in finite systems (atoms, molecules, clusters). It most importantly implements the approximation for the self-energy and the Bethe-Salpeter equation for the optical excitations. MOLGW comes with a fully functional density-functional theory (DFT) code to prepare the subsequent MBPT runs. Standard local and semi-local approximations to DFT are available, as well as several hybrid functionals and range-separated hybrid functionals. MOLGW uses a Gaussian-type orbitals basis set so to reuse all the standard quantum-chemistry tools.
More information
- Homepage: https://www.molgw.org
Available Versions of MOLGW
Version | Module | Available on |
|---|---|---|
3.3-foss-2023a | chem/MOLGW/3.3-foss-2023a | Otus |
This table is generated automatically. If you need other versions please click pc2-support@uni-paderborn.de.