Ecosyste.ms: Packages
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spack.io : molgw
MOLGW is a quantum chemistry code that implements the many-body perturbation theory (MBPT) to describe the excited electronic states in finite systems (atoms, molecules, clusters). MOLGW implements the GW approximation for the self-energy (ionization and affinity) and the Bethe-Salpeter equation for the optical excitations. MOLGW also applies the real-time time-dependent density-functional theory (RT-TDDFT). MOLGW employs standard Gaussian basis set.
Registry
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Source
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purl: pkg:spack/molgw
Keywords: bethe-salpeter, dft, fortran, greens-functions, hartree-fock, molecule, mpi, quantum-mechanics, scalapack, tddft
License: Other
Latest release: 8 months ago
First release: 8 months ago
Stars: 34 on GitHub
Forks: 24 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 3 months ago