相关论文: Optical saturation driven by exciton confinement i…

As part of a general study of the time-dependent local density approximation (TDLDA), we here report calculations of optical activity of chiral molecules. The theory automatically satisfies sum rules and the Kramers-Kronig relation between…

Compact coherent x-ray sources have been the focus of extensive research efforts over the past decades. As a result, several novel schemes like optical and nano-undulators for generating x-ray emissions in "table-top" setups are proposed,…

We demonstrate that exciton conductance in organic materials can be enhanced by several orders of magnitude when the molecules are strongly coupled to an electromagnetic mode. Using a 1D model system, we show how the formation of a…

Standard density functional approximations greatly over-estimate the static polarizability of longchain polymers, but Hartree-Fock or exact exchange calculations do not. Simple self-interaction corrected (SIC) approximations can be even…

Photo-active systems are characterized by their capacity of absorbing light energy and transforming it. Usually, more than one chromophore is involved in the light absorption and excitation transport processes in complex systems.…

Understanding how dielectric anisotropy governs excitonic behavior in two-dimensional (2D) halide perovskites is critical for predicting and engineering their optoelectronic properties. In this work, we investigate Cs(n+1)PbnBr3n+1…

Confinement is an ubiquitous phenomenon when matter couples to gauge fields, which manifests itself in a linear string potential between two static charges. Although gauge fields can be integrated out in one dimension, they can mediate…

Applying the novel exact-exchange (EXX) Kohn-Sham method within time-dependent density-functional theory, we obtained the optical absorption spectrum of bulk silicon in good agreement with experiments including excitonic features. Analysis…

In our recent paper [1], we reported observations of photon blockade by one atom strongly coupled to an optical cavity. In support of these measurements, here we provide an expanded discussion of the general phenomenology of photon blockade…

Photoelectron Angular Distributions (PADs) resulting from 800 nm and 1300 nm strong field ionization of impulsively aligned CF$_3$I molecules were analyzed using time-dependent density functional theory (TDDFT). The normalized difference…

Apparent recombination orders exceeding the value of two expected for bimolecular recombination have been reported for organic solar cells in various publications. Two prominent explanations are bimolecular losses with a carrier…

Multiparticle production of charged particles at high energies exhibit the phenomenon of Limiting Fragmentation. Furthermore, the region in rapidity over which the production of particles appears to be independent of energy, increases with…

Polaron-mediated charge transport in {\alpha}-Fe2O3 plays a central role in its performance as a gas-sensing material, yet the atomistic interaction between surface adsorbates and polarons remains insufficiently understood. Here, density…

Here we study the polaronic transport through molecules weakly connected to metallic electrodes in the nonlinear response regime. Molecule itself is treated as a quantum dot with discrete energy levels, its connection to the electrodes is…

Electron-electron interactions in general lead to both ground state and excited state confinement. We show, however, that in phenyl-substituted polyacetylenes electron-electron interactions cause enhanced delocalization of quasiparticles in…

Exciton transport in molecular aggregates is a fundamental process governing the performance of organic optoelectronics and light-harvesting systems. While most theoretical studies have emphasized long-time transport behavior, recent…

Due to efficient scaling with electron number N, density functional theory (DFT) is widely used for studies of large molecules and solids. Restriction of an exact mean-field theory to local potential functions has recently been questioned.…

In this work, using the time-dependent density functional theory, we address the electron tunneling triggered by short (single-cycle and several-cycle) optical pulses in narrow metallic gaps under conditions relevant for actual experiments.…

Impurities play an important role during recombination processes in semiconductors. Their important role is sharpened in atomically-thin transition-metal dichalcogenides whose two-dimensional character renders electrons and holes highly…

The number of excitons that conjugated polymers can support at any one time underpins their optoelectronic performance in light emitting diodes and as laser gain media, as it sets a natural limit on exciton density. Here we have measured…