相关论文: Tuning nonradiative lifetimes via molecular aggreg…
Density functional theory was used to study the nonmagnetic (NM) and ferromagnetic (FM) phases of face-centered cubic cerium. Functionals of four levels of approximations for the exchange-correlation energy were used: LDA, PBE, LDA/PBE+$U$,…
Mean-Field Ring Polymer Molecular Dynamics (MF-RPMD) is a powerful, efficient, and accurate method for approximate quantum dynamic simulations of multi-level system dynamics. Initial efforts to compute nonadiabatic reaction rates using…
Collective decays of multiply-excited atoms become subradiant and bound in space when they are strongly coupled to the guided modes in an atom-waveguide interface. In this interface, we analyze their average density-density and modified…
We calculate the lifetime of low-energy electronic excitations in a two-dimensional quantum dot near a metallic gate. We find different behaviors depending on the relative values of the dot size, the dot-gate distance and the Thomas-Fermi…
Out of equilibrium, the action-reaction symmetry of the interactions is often broken, leading to the emergence of various collective phenomena with no equilibrium counterparts. Although ubiquitous in classical active systems, implementing…
We present a theoretical study of lifetimes of interface states (IS) on metal-organic interfaces PTCDA/Ag(111), NTCDA/Ag(111), PFP/Ag(111), and PTCDA/Ag(100), describing and explaining the recent experimental data. By means of unfolding the…
We investigate the process of photon absorption by atoms or molecules shortly interacting with a laser beam in the dipole approximation. Assuming that the interaction time $\tau$ is much smaller than the lifetime of the corresponding…
Recently proposed non-adiabatic ring polymer molecular dynamics (NRPMD) approach has shown to provide accurate quantum dynamics by incorporating explicit electronic state descriptions and nuclear quantizations. Here, we present a rigorous…
Electron removal in collisions of alpha particles with neon dimers is studied using an independent-atom-independent-electron model based on the semiclassical approximation of heavy-particle collision physics. The dimer is assumed to be…
Collective optical excitations in dipole-coupled nanorings of sub-wavelength spaced quantum emitters exhibit extreme sub-radiance and field confinement facilitating an efficient and low-loss ring-to-ring energy transfer. We show that energy…
When a vacancy is created in an inner-valence orbital of a dimer of atoms or molecules, the resulting species can undergo interatomic/intermolecular Coulombic decay (ICD): the hole is filled through a relaxation process that leads to a…
The nuclear magnetic resonance (NMR) with the site-dependent shift, at low temperatures is examined for a massless Dirac electrons in the organic conductor, alpha-(BEDT-TTF)_2I_3, where the sites of the four molecules in the unit cell are…
Magnetic adatoms on surfaces are exchange coupled to their environment, inducing fast relaxation of excited spin states and decoherence. These interactions can be suppressed by inserting decoupling layers between the magnetic adsorbate and…
A molecular cluster's inner valence ionized state undergoes autoionization, which is nonlocal by nature. In a molecular system, when the inner valence's ionization potential (IP) is higher than the double ionization energy (DIP), it is…
We study the dynamics and trapping of excitations for a dimer with an energy off-set $\Delta$ coupled to an external environment. Using a Lindblad quantum master equation approach, we calculate the survival probability $\Pi(t)$ of the…
Light-induced energy confinement in nanoclusters via plasmon excitations influences applications in nanophotonics, photocatalysis, and the design of controlled slow electron sources. The resonant decay of these excitations through the…
We show that the electromagnetic moments of unstable particles (resonances) have an absorptive contribution which quantifies the change of the particle's lifetime in an external electromagnetic field. To give an example we compute here the…
Optical Mie resonators based on silicon nanostructures allow tuning of light-matter-interaction with advanced design concepts based on CMOS compatible nanofabrication. Optically active materials such as transition-metal dichalcogenide (TMD)…
We investigate the non-equilibrium mechanical motion of double-stranded DNA in a molecular junction under electronic current using Keldysh-Langevin molecular dynamics. Non-equilibrium electronic force reshapes the effective potential energy…
We discuss the simulation of non-perturbative cavity-QED effects using systems of trapped ions. Specifically, we address the implementation of extended Dicke models with both collective dipole-field and direct dipole-dipole interactions,…