.png){kind=icon}
.png){kind=icon}
Return
Modeling molecule-plasmon interactions using quantized radiation fields within time-dependent electronic structure theory
.png){kind=icon}
PRE
AI
DOI：10.1063/1.4936348.png)
.png){kind=icon}
Original request for help.png){kind=icon}
Share.png){kind=icon}
Save
Abstract
En 中文
We present a combined cavity quantum electrodynamics/ab initio electronic structure approach for simulating plasmon-molecule interactions in the time domain. The simple Jaynes-Cummings-type model Hamiltonian typically utilized in such simulations is replaced with one in which the molecular component of the coupled system is treated in a fully ab initio way, resulting in a computationally efficient description of general plasmon-molecule interactions. Mutual polarization effects are easily incorporated within a standard ground-state Hartree-Fock computation, and time-dependent simulations carry the same formal computational scaling as real-time time-dependent Hartree-Fock theory. As a proof of principle, we apply this generalized method to the emergence of a Fano-like resonance in coupled molecule-plasmon systems; this feature is quite sensitive to the nanoparticle-molecule separation and the orientation of the molecule relative to the polarization of the external electric field. (C) 2015 AIP Publishing LLC.
Keywords:
SURFACE-ENHANCED RAMAN
FLUORESCENCE ENHANCEMENT
GOLD NANOPARTICLES
AU NANOPARTICLES
OPTICAL-RESPONSE
METAL-PARTICLE
QUANTUM-DOT
SCATTERING
SENSITIVITY
AI Summary
Key information extracted from the uploaded paper, including a brief overview, abstract, background, key highlights, visual analysis, and future outlook.
Journal
IF:
3.1
Papers:
7.2W
Citations:
23.2W
