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Low-Order Scaling Quasiparticle Self-Consistent GW for Molecules
Low-order scaling GW implementations for molecules are usually restricted to approximations with diagonal self-energy. Here, we present an all-electron implementation of quasiparticle self-consistent GW for molecular systems. We use an efficient algorithm for the evaluation of the self-energy in ima...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8446457/ https://www.ncbi.nlm.nih.gov/pubmed/34540804 http://dx.doi.org/10.3389/fchem.2021.736591 |