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Benchmarking the Bethe–Salpeter Formalism on a Standard Organic Molecular Set
[Image: see text] We perform benchmark calculations of the Bethe–Salpeter vertical excitation energies for the set of 28 molecules constituting the well-known Thiel’s set, complemented by a series of small molecules representative of the dye chemistry field. We show that Bethe–Salpeter calculations...
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| I publikationen: | J Chem Theory Comput |
|---|---|
| Huvudupphovsmän: | , , |
| Materialtyp: | Artigo |
| Språk: | Inglês |
| Publicerad: |
American
Chemical Society
2015
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| Länkar: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4504186/ https://ncbi.nlm.nih.gov/pubmed/26207104 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.5b00304 |
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