Related papers: A quantum dynamics method for excited electrons in…
We present a self-contained theoretical and computational framework for dynamics following photoexcitation in quantum dots near planar interfaces. A microscopic Hamiltonian parameterized by first principles calculations is merged with a…
A novel method of coherent manipulation of the electron tunneling in quantum-dots is proposed, which utilizes the quantum interference in nonadiabatic double-crossing of the discrete energy levels. In this method, we need only a smoothly…
We simulate, using a particle-in-cell code, the chain of acceleration processes at work during the Compton-based interaction of a dilute electron-ion plasma with an extreme-intensity, incoherent gamma-ray flux with a photon density several…
We propose a method to dynamically generate and control the flow of spin-entangled electrons, each belonging to a spin-singlet, by means of adiabatic quantum pumping. The pumping cycle functions by periodic time variation of localized…
An elementary excitation in an aggregate of coupled particles generates a collective excited state. We show that the dynamics of these excitations can be controlled by applying a transient external potential which modifies the phase of the…
Scanning near-field optical imaging (SNOM) using local active probes provides in general images of the electric part of the photonic local density of states. However, certain atomic clusters can supply more information by simultaneously…
The dynamics of excitonic energy transfer in molecular complexes triggered by interaction with laser pulses offers a unique window into the underlying physical processes. The absorbed energy moves through the network of interlinked pigments…
There has been rapid development of systems that yield strong interactions between freely propagating photons in one dimension via controlled coupling to quantum emitters. This raises interesting possibilities such as quantum information…
We investigate the non-equilibrium quantum dynamics of a canonical light-matter system, namely the Dicke model, when the light-matter interaction is ramped up and down through a cycle across the quantum phase transition. Our calculations…
Recently, we have reported theoretical studies (J. Chem. Phys. 129, 054703, 2008 and J. Chem. Phys. 130, 086101, 2009) on the rate of energy transfer from an electronically excited molecule to graphene. It was found that graphene is a very…
Recent experiments have shown that highly efficient energy transfer can take place in organic nanocrystals at extremely low acceptor densities. This striking phenomenon has been ascribed to the formation of exciton polaritons thanks to the…
We derive a fluid-dynamic model for electron transport near a Dirac point in graphene. The derivation is based on the minimum entropy principle, which is exploited in order to close fluid-dynamic equations for quantum mixed states. To this…
The investigation of the dynamics of quantum many-body systems is a concerted effort involving computational studies of mathematical models and experimental studies of material samples. Some commonalities of the two tracks of investigation…
We present a rare event sampling scheme applicable to coupled electronic excited states. In particular, we extend the forward flux sampling (FFS) method for rare event sampling to a nonadiabatic version (NAFFS) that uses the trajectory…
Excited state proton transfer is an ubiquitous phenomenon in biology and chemistry, spanning from the ultrafast reactions of photo-bases and acids to light-driven, enzymatic catalysis and photosynthesis. However, the simulation of such…
We investigate signatures of the excited-state quantum phase transition in the periodic dynamics of the Lipkin-Meshkov-Glick model and the Tavis-Cummings model. In the thermodynamic limit, expectation values of observables in eigenstates of…
We present an extension of a framework for simulating single quasiparticle or collective excitations on top of strongly correlated quantum many-body ground states using infinite projected entangled pair states, a tensor network ansatz for…
We present two methods of calculating the spatial entanglement of an interacting electron system within the framework of density-functional theory. These methods are tested on the model system of Hooke's atom for which the spatial…
In this work we set up a model Hamiltonian to study the excited state quantum dynamics of 1,1-difluoroethylene, a molecule that has equivalent atoms exchanged by a torsional symmetry operation leading to equivalent minima on the potential…
Processes related to electronically excited states are central in many areas of science, however accurately determining excited-state energies remains a major challenge in theoretical chemistry. Recently, higher energy stationary states of…