MOLGW

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.

homepage: https://www.molgw.org

version	toolchain
3.3	foss/2023a

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