dc.contributor.author | Koch, Henrik | |
dc.contributor.author | Tor S., Haugland | |
dc.contributor.author | Eirik F., Kjønstad | |
dc.contributor.author | Enrico, Ronca | |
dc.contributor.author | Angel, Rubio | |
dc.date.accessioned | 2021-01-11T09:47:28Z | |
dc.date.available | 2021-01-11T09:47:28Z | |
dc.date.created | 2021-01-06T17:52:44Z | |
dc.date.issued | 2020 | |
dc.identifier.issn | 2160-3308 | |
dc.identifier.uri | https://hdl.handle.net/11250/2722305 | |
dc.description.abstract | We present an ab initio correlated approach to study molecules that interact strongly with quantum fields in an optical cavity. Quantum electrodynamics coupled cluster theory provides a nonperturbative description of cavity-induced effects in ground and excited states. Using this theory, we show how quantum fields can be used to manipulate charge transfer and photochemical properties of molecules. We propose a strategy to lift electronic degeneracies and induce modifications in the ground-state potential energy surface close to a conical intersection. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | American Physical Society | en_US |
dc.rights | Navngivelse 4.0 Internasjonal | * |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/deed.no | * |
dc.title | Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States | en_US |
dc.type | Peer reviewed | en_US |
dc.type | Journal article | en_US |
dc.description.version | publishedVersion | en_US |
dc.source.journal | Physical Review X | en_US |
dc.identifier.doi | 10.1103/PhysRevX.10.041043 | |
dc.identifier.cristin | 1866608 | |
dc.relation.project | Norges forskningsråd: 275506 | en_US |
dc.relation.project | EC/H2020/765739 | en_US |
dc.relation.project | Norges forskningsråd: 263110 | en_US |
dc.description.localcode | Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article’s title, journal citation, and DOI. | en_US |
cristin.ispublished | true | |
cristin.fulltext | original | |
cristin.qualitycode | 2 | |