Molecular orbital theory in cavity QED environments

Rosario R. Riso; Tor S. Haugland; Enrico Ronca; Henrik Koch

doi:10.1038/s41467-022-29003-2

Nature Communications (Mar 2022)

Molecular orbital theory in cavity QED environments

Rosario R. Riso,
Tor S. Haugland,
Enrico Ronca,
Henrik Koch

Affiliations

Rosario R. Riso: Department of Chemistry, Norwegian University of Science and Technology
Tor S. Haugland: Department of Chemistry, Norwegian University of Science and Technology
Enrico Ronca: Istituto per i Processi Chimico Fisici del CNR (IPCF-CNR)
Henrik Koch: Department of Chemistry, Norwegian University of Science and Technology

DOI: https://doi.org/10.1038/s41467-022-29003-2
Journal volume & issue: Vol. 13, no. 1
pp. 1 – 8

Abstract

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Theoretical description of light-matter coupling in the strong-coupling regime is challenging. Here the authors introduce a fully consistent ab-initio method of molecular orbital theory applicable to material systems in quantum electrodynamics environments.

Published in Nature Communications

ISSN: 2041-1723 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science
Website: https://www.nature.com/ncomms/

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