Cargando…
The GW Miracle in Many-Body Perturbation Theory for the Ionization Potential of Molecules
We use the GW100 benchmark set to systematically judge the quality of several perturbation theories against high-level quantum chemistry methods. First of all, we revisit the reference CCSD(T) ionization potentials for this popular benchmark set and establish a revised set of CCSD(T) results. Then,...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2021
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8733722/ https://www.ncbi.nlm.nih.gov/pubmed/35004607 http://dx.doi.org/10.3389/fchem.2021.749779 |