Carregant...
Simulating Vibronic Spectra without Born–Oppenheimer Surfaces
[Image: see text] We show how linear vibronic spectra in molecular systems can be simulated efficiently using first-principles approaches without relying on the explicit use of multiple Born–Oppenheimer potential energy surfaces. We demonstrate and analyze the performance of mean-field and beyond-me...
Guardat en:
| Publicat a: | J Phys Chem Lett |
|---|---|
| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
American Chemical
Society
2021
|
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8020382/ https://ncbi.nlm.nih.gov/pubmed/33750137 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.1c00073 |
| Etiquetes: |
Afegir etiqueta
Sense etiquetes, Sigues el primer a etiquetar aquest registre!
|