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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...
Wedi'i Gadw mewn:
| Cyhoeddwyd yn: | ACS Photonics |
|---|---|
| Prif Awduron: | , , , , |
| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
American
Chemical Society
2018
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| Mynediad Ar-lein: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5865078/ https://ncbi.nlm.nih.gov/pubmed/29594185 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsphotonics.7b01279 |
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