Related papers: Nuclear-Electronic Quantum Dynamics in a Plasmonic…
The electronic structure and size-scaling of optoelectronic properties in cycloparaphenylene carbon nanorings are investigated using time-dependent density functional theory (TDDFT). The TDDFT calculations on these molecular nanostructures…
Mechanical systems are pivotal in quantum technologies because of their long coherent time and versatile coupling to qubit systems. So far, the coherent and dynamic control of gigahertz-frequency mechanical modes mostly relies on…
Fission resulting from collision of atomic nuclei is systematically investigated based on time-dependent density functional calculations. Time-dependent density functional theory (TDDFT) is a framework, which enables us to treat quantum…
Molecular polaritons have drawn great interest in recent years as a possible avenue for providing optical control over chemical dynamics. A central challenge in the field is to identify physical phenomena that require a quantum rather than…
Understanding the ultrafast processes at their natural-time scale is crucial for controlling and manipulating nanoscale optoelectronic devices under light-matter interaction. Here, we demonstrate that ultrafast plasmon resonances,…
Time-dependent density functional theory (TDDFT) is a widely used method to investigate electron dynamics under external time-dependent perturbations such as laser fields. In this work, we present a machine learning approach to accelerate…
The neutralization process of an ion particle on a surface is key issue of the plasma-wall interaction (PWI). We investigated helium (He) ion injection onto a tungsten surface using time-dependent density functional theory (TDDFT)…
A time-dependent theory for the interactions between spatially separated lossy cavities in a homogeneous background medium using quantized quasinormal modes (QNMs) is presented. The cavities interact via a bath of traveling photons,…
In the framework of real-time time-dependent density functional theory (RT-TDDFT) we unravel the layer-resolved dynamics of the electronic structure of a (Fe)$_1$/(MgO)$_3$(001) multilayer system after an optical excitation with a frequency…
Plexcitonic strong coupling has ushered in an era of room-temperature quantum electrodynamics that is achievable at the nanoscale, with potential applications ranging from high-precision single-molecule spectroscopy to quantum technologies…
Polaritonic chemistry relies on the strong light-matter interaction phenomena for altering the chemical reaction rates inside optical cavities. To explain and to understand these processes, the development of reliable theoretical models is…
Time-dependent density functional theory (TDDFT) is presently enjoying enormous popularity in quantum chemistry, as a useful tool for extracting electronic excited state energies. This article discusses how TDDFT is much broader in scope,…
The spectacular experimental results of the last few years in cavity quantum electrodynamics and trapped ions research has led to very high level laboratory performances. Such a stimulating situation essentially stems from two decisive…
Understanding the quantum dynamics of strongly coupled molecule-cavity systems remains a significant challenge in molecular polaritonics. This work develops a comprehensive self-consistent model simulating electromagnetic interactions of…
We present full quantum mechanical calculations of the hybridized plasmon modes of two nanowires at small separation, providing real space visualization of the modes in the transition from the classical to the quantum tunneling regime. The…
Recent experiments in polariton chemistry have demonstrated that reaction rates can be modified by vibrational strong coupling to an optical cavity mode. Importantly, this modification only occurs when the frequency of the cavity mode is…
We propose a machine learning based approach to develop the exchange-correlation potential of time dependent density functional theory (TDDFT). The neural network projection from the time-varying electron densities to the corresponding…
We study quantum dynamics of many-qubit systems strongly coupled to a quantized electromagnetic cavity mode, in the presence of decoherence and dissipation for both fermions and cavity photons. The analytic solutions are derived for a broad…
In this paper we study, in the time domain, the interaction between localized surface plasmons and photons in arbitrarily shaped metal nanoparticles, by using the Hopfield approach to quantize the plasmon modes, where the electron…
A summary of recent researches on nuclear dynamics with realistic microscopic quantum approaches is presented. The Balian-V\'en\'eroni variational principle is used to derive the time-dependent Hartree-Fock (TDHF) equation describing the…