Cargando…
Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State
[Image: see text] We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to the coupling to transversal photons as formulated in the newly developed quantum-electrodynamical density-functional theory (QEDFT).1−5 Our construction employs the optimized-effect...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2018
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5865078/ https://www.ncbi.nlm.nih.gov/pubmed/29594185 http://dx.doi.org/10.1021/acsphotonics.7b01279 |