相关论文: Exciton Dissociation and Charge Separation at Dono…
Linear-response time-dependent density-functional theory (TDDFT) can describe excitonic features in the optical spectra of insulators and semiconductors, using exchange-correlation (xc) kernels behaving as $-1/k^{2}$ to leading order. We…
Lateral heterostructures built of monolayers of transition metal dichalcogenides (TMDs) are characterized by a thin 1D interface exhibiting a large energy offset. Recently, the formation of spatially separated charge-transfer (CT) excitons…
We consider the photodissociation of ground-state bosonic molecules trapped in an optical lattice potential into two-component fermionic atoms. The system is assumed to be described by a one-band resonantly-coupled Bose-Fermi Hubbard model.…
The unraveling of open quantum system dynamics in terms of stochastic quantum trajectories offers a picture of open system dynamics that consistently considers memory effects stemming from the finite correlation time of environment…
We study the dynamics of charge-transfer insulators after photo-excitation using the three-band Emery model and a nonequilibrium extension of Hartree-Fock+EDMFT and GW+EDMFT. While the equilibrium properties are accurately reproduced by the…
A notable issue, the proper description of mass and charge distributions of fission fragments within nonadiabatic descriptions of fission dynamics, is investigated by performing double particle number projection on the outcomes of…
The decay of photoexcited quantum systems (examples are photodissociation of molecules and autoionization of atoms) can be viewed as a half-collision process (an incoming photon excites the system which subsequently decays by dissociation…
Quantum algorithms have the potential to revolutionize our understanding of open quantum systems in chemistry. In this work, we demonstrate that a repeated interaction model, which could serve as the foundation for a digital quantum…
We present a time-dependent study of electron transport through a strongly correlated quantum dot. The time-dependent current is obtained with the multiple-probe battery method, while adiabatic lattice density functional theory in the Bethe…
Photoabsorption in the low-energy region for C$_{60}$ and PTCDA molecular complexes is studied within linear response TDDFT. For the PBE, B3LYP and HSE exchange-correlation (xc) functionals the dependence of the accuracy of the exciton…
The Coulomb gap in a donor-acceptor model with finite charge transfer energy $\Delta$ describing the electronic system on the dielectric side of the metal-insulator transition is investigated by means of computer simulations on two- and…
Atomically thin semi-conductors are characterized by strongly bound excitons which govern the optical properties of the materials below and near the band edge. Efficient conversion of photons into electrical current requires, as a first…
We consider exciton effects on current in molecular nanojunctions, using a model comprising a two two-level sites bridge connecting free electron reservoirs. Expanding the density operator in the many-electron eigenstates of the uncoupled…
When a mesoscopic conductor is coupled to a high-quality electromagnetic cavity the flow of charges and the flux of photons leaking out of the cavity can both depend strongly on the coupled quantum dynamics of the system. Using a…
We investigate the relevance of dynamic quantum coherence in the energy transfer efficiency of molecular aggregates. We contrast the dynamics after excitation of a quantum mechanical system with that of a classical system. We demonstrate…
The roles of the vibration motions played in the excitation energy transfer process are studied. It is found that a strong coherent transfer in the hybrid system emerges when the detuning between the donor and the acceptor equals the…
We study the dissipative phase transition in a quantum oscillator with two-photon drive and two-photon dissipation. Using the semi-classical Langevin equation and the Fokker-Plank approach, we construct a theory of non-perturbative quantum…
Enhanced interaction between two two-level emitters (e.g., atoms) by nonreciprocal photonic media can be of benefit to broad areas, from quantum information science to biological detection. Here we provide a detailed analysis on why…
Based on the reduced density matrix method, we compare two different approaches to calculate the dynamics of the electron transfer in systems with donor, bridge, and acceptor. In the first approach a vibrational substructure is taken into…
Photosynthesis is an important and complex physical process in nature, whose comprehensive understanding would have many relevant industrial applications, for instance in the field of energy production. In this paper we propose a quantum…