相关论文: Tuning nonradiative lifetimes via molecular aggreg…
The lifetime of non-equilibrium electrons and holes in semiconductors is crucial for solar cell and optoelectronic applications. Non-adiabatic molecular dynamics (NAMD) simulations based on time-dependent density functional theory (TDDFT)…
Two-dimensional Raman and hybrid terahertz/Raman spectroscopic techniques provide invaluable insight into molecular structure and dynamics of condensed-phase systems. However, corroborating experimental results with theory is difficult due…
The relations between matrix elements of different P- and T-odd weak interactions are derived. We demonstrate that similar relations hold for parity nonconserving (PNC) transition amplitudes and electron electric dipole moments (EDM) of…
A recent study shows that: when a long lifetime particle is positioned near a plasmonic metal nanoparticle, lifetime of plasmon oscillations extends, but, "only" near that long-life particle [PRB 101, 035416 (2020)]. Here, we show that this…
Radioactive decay of nuclei via emission of $\alpha$ particles has been studied theoretically in the framework of a superasymmetric fission model using the double folding (DF) procedure for obtaining the $\alpha$-nucleus interaction…
We analyze the molecular electric dipole moments (PDMs) and static electric dipole polarizabilities of heteronuclear alkali dimers in their ground states by employing coupled-cluster theory, both in the non-relativistic and four-component…
We employ various quantum-mechanical approaches for studying the impact of electric fields on both nonretarded and retarded noncovalent interactions between atoms or molecules. To this end, we apply perturbative and non-perturbative methods…
The effective interaction of the electron magnetic moment anomaly with the Coulomb field of superheavy nuclei is investigated by taking into account its dynamical screening at small distances. The shift of the electronic levels, caused by…
A non-equilibrium plasma was studied using classical electrodynamic field theory. Non-linear interaction terms contribute to a finite lifetime for the dressed electrodynamic field. The lifetime exhibits a $\sim n^{-1} T_{e}^{3/2}…
The competition between the radiative and nonradiative lifetimes determines the optical quantum yield and plays a crucial role in the potential optoelectronic applications of transition metal dichalcogenides (TMDC). Here, we show that, in…
The influence of the electron environment on the alpha decay is elucidated. Within the frame of a simple model based on the generalized Thomas-Fermi theory of the atom, it is shown that the increase of the electron density around the parent…
We develop a microscopic theory for nonlinear optical response of moir\'e exciton-polaritons in bilayers of transition metal dichalcogenides (TMDs). Our theory allows to study the tunnel-coupled intralayer and interlayer excitonic modes for…
Half lives of the decays of spherical nuclei away from proton drip line by proton emissions are estimated theoretically. The quantum mechanical tunneling probability is calculated within the WKB approximation. Microscopic proton-nucleus…
Electronically excited atoms or molecules in an environment are often subject to interatomic/intermolecular Coulombic decay (ICD) and/or electron transfer mediated decay (ETMD) mechanisms. A few of the numerous variables that can impact…
In numerous diluted magnetic semiconductor (DMS) systems, the competition takes place between the short-range antiferromagnetic (AF) superexchange interactions and the long-range Ruderman-Kittel-Kasuya-Yosida (RKKY) coupling mediated by the…
We report on the dissipative dynamics of an entangled, bipartite interacting system. We show how to induce and control the so-called early stage disentanglement (and the delayed entanglement generation) dynamics by means of a driving laser…
N-d elastic scattering is studied at different energies using one of the modern NN interactions, the Argonne v_{18} which explicitly includes the magnetic moment interaction between two nucleons. This interaction, which has been often…
The ion-bombardment induced evolution of intermixing is studied by molecular dynamics simulations and by Auger electron spectroscopy depth profiling analysis (AESD) in Cu/Co multilayer. It has been shown that from AESD we can derive the…
Stable organic radicals integrated into molecular junctions represent a practical realization of the single-orbital Anderson impurity model. Motivated by recent experiments for perchlorotriphenylmethyl (PTM) molecules contacted to gold…
We have studied the relaxation dynamics of optically excited electrons in molybdenum and rhodium by means of time resolved two-photon photoemission spectroscopy (TR-2PPE) and ab initio electron self-energy calculations performed within the…