期刊
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
卷 114, 期 12, 页码 3026-3034出版社
NATL ACAD SCIENCES
DOI: 10.1073/pnas.1615509114
关键词
QED chemistry; quantum electrodynamical density functional theory; adiabatic polariton surfaces; local control; optimized effective potential
资金
- European Research Council QSpec-NewMat project [ERC-2015-AdG-694097]
- Spanish grant [FIS2013-46159-C3-1-P]
- Grupos Consolidados [IT578-13]
- Air Force Office of Scientific Research Award [FA2386-15-1-0006 AOARD 144088]
- H-NMP project MOSTOPHOS [646259]
- COST Action MP1306 (EUSpec)
- Austrian Science Fund [FWF P25739-N27]
In this work, we provide an overview of how well-established concepts in the fields of quantum chemistry and material sciences have to be adapted when the quantum nature of light becomes important in correlated matter-photon problems. We analyze model systems in optical cavities, where the matter-photon interaction is considered from the weak-to the strong-coupling limit and for individual photon modes as well as for the multimode case. We identify fundamental changes in Born-Oppenheimer surfaces, spectroscopic quantities, conical intersections, and efficiency for quantum control. We conclude by applying our recently developed quantum-electrodynamical density-functional theory to spontaneous emission and show how a straightforward approximation accurately describes the correlated electron-photon dynamics. This work paves the way to describe matter-photon interactions from first principles and addresses the emergence of new states of matter in chemistry and material science.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据