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Is the Bethe–Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD
[Image: see text] Developing ab initio approaches able to provide accurate excited-state energies at a reasonable computational cost is one of the biggest challenges in theoretical chemistry. In that framework, the Bethe–Salpeter equation approach, combined with the GW exchange-correlation self-ener...
Tallennettuna:
| Julkaisussa: | J Phys Chem Lett |
|---|---|
| Päätekijät: | , , |
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
American Chemical
Society
2017
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| Linkit: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5385505/ https://ncbi.nlm.nih.gov/pubmed/28301726 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.7b00381 |
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