Entangled Wavefunctions from Classical Oscillator Amplitudes

In the first days of quantum mechanics Dirac pointed out an analogy between the time-dependent coefficients of an expansion of the Schr\"odinger equation and the classical position and momentum variables solving Hamilton's equations. Here it is shown that the analogy can be made an equivalence in that, in principle, systems of classical oscillators can be constructed whose position and momenta variables form time-dependent amplitudes which are identical to the complex quantum amplitudes of the coupled wavefunction of an N-level quantum system with real coupling matrix elements. Hence classical motion can reproduce quantum coherence.Comment: extended versio

Recommendations for Future Efforts in RANS Modeling and Simulation

The roadmap laid out in the CFD Vision 2030 document suggests that a decision to move away from RANS research needs to be made in the current timeframe (around 2020). This paper outlines industry requirements for improved predictions of turbulent flows and the cost-barrier that is often associated with reliance on scale resolving methods. Capabilities of RANS model accuracy for simple and complex flow flow fields are assessed, and modeling practices that degrade predictive accuracy are identified. Suggested research topics are identified that have the potential to improve the applicability and accuracy of RANS models. We conclude that it is important that some part of a balanced turbulence modeling research portfolio should include RANS efforts

Non-Markovian quantum state diffusion for absorption spectra of molecular aggregates

In many molecular systems one encounters the situation where electronic excitations couple to a quasi-continuum of phonon modes. That continuum may be highly structured e.g. due to some weakly damped high frequency modes. To handle such a situation, an approach combining the non-Markovian quantum state diffusion (NMQSD) description of open quantum systems with an efficient but abstract approximation was recently applied to calculate energy transfer and absorption spectra of molecular aggregates [Roden, Eisfeld, Wolff, Strunz, PRL 103 (2009) 058301]. To explore the validity of the used approximation for such complicated systems, in the present work we compare the calculated (approximative) absorption spectra with exact results. These are obtained from the method of pseudomodes, which we show to be capable of determining the exact spectra for small aggregates and a few pseudomodes. It turns out that in the cases considered, the results of the two approaches mostly agree quite well. The advantages and disadvantages of the two approaches are discussed

Adiabatic entanglement transport in Rydberg aggregates

We consider the interplay between excitonic and atomic motion in a regular, flexible chain of Rydberg atoms, extending our recent results on entanglement transport in Rydberg chains [W\"uster et al., Phys.Rev.Lett 105 053004 (2010)]. In such a Rydberg chain, similar to molecular aggregates, an electronic excitation is delocalised due to long range dipole-dipole interactions among the atoms. The transport of an exciton that is initially trapped by a chain dislocation is strongly coupled to nuclear dynamics, forming a localised pulse of combined excitation and displacement. This pulse transfers entanglement between dislocated atoms adiabatically along the chain. Details about the interaction and the preparation of the initial state are discussed. We also present evidence that the quantum dynamics of this complex many-body problem can be accurately described by selected quantum-classical methods, which greatly simplify investigations of excitation transport in flexible chains

Influence of Complex Exciton-Phonon Coupling on Optical Absorption and Energy Transfer of Quantum Aggregates

We present a theory that efficiently describes the quantum dynamics of an electronic excitation that is coupled to a continuous, highly structured phonon environment. Based on a stochastic approach to non-Markovian open quantum systems, we develop a dynamical framework that allows us to handle realistic systems where a fully quantum treatment is desired yet the usual approximation schemes fail. The capability of the method is demonstrated by calculating spectra and energy transfer dynamics of mesoscopic molecular aggregates, elucidating the transition from fully coherent to incoherent transfer

Light transport in PT-invariant photonic structures with hidden symmetries

We introduce a recursive bosonic quantization technique for generating classical PT photonic structures that possess hidden symmetries and higher order exceptional points. We study light transport in these geometries and we demonstrate that perfect state transfer is possible only for certain initial conditions. Moreover, we show that for the same propagation direction, left and right coherent transports are not symmetric with field amplitudes following two different trajectories. A general scheme for identifying the conservation laws in such PT-symmetric photonic networks is also presented

Dynamics of a nano-scale rotor driven by single-electron tunneling

We investigate theoretically the dynamics and the charge transport properties of a rod-shaped nano-scale rotor, which is driven by a similar mechanism as the nanomechanical single-electron transistor (NEMSET). We show that a static electric potential gradient can lead to self-excitation of oscillatory or continuous rotational motion. The relevant parameters of the device are identified and the dependence of the dynamics on these parameters is studied. We further discuss how the dynamics is related to the measured current through the device. Notably, in the oscillatory regime, we find a negative differential conductance. The current-voltage characteristics can be used to infer details of the surrounding environment which is responsible for damping

Suppression of quantum oscillations and the dependence on site energies in electronic excitation transfer in the Fenna-Matthews-Olson trimer

Energy transfer in the photosynthetic complex of the Green Sulfur Bacteria known as the Fenna-Matthews-Olson (FMO) complex is studied theoretically taking all three subunits (monomers) of the FMO trimer and the recently found eighth bacteriochlorophyll (BChl) molecule into account. We find that in all considered cases there is very little transfer between the monomers. Since it is believed that the eighth BChl is located near the main light harvesting antenna we look at the differences in transfer between the situation when BChl 8 is initially excited and the usually considered case when BChl 1 or 6 is initially excited. We find strong differences in the transfer dynamics, both qualitatively and quantitatively. When the excited state dynamics is initialized at site eight of the FMO complex, we see a slow exponential-like decay of the excitation. This is in contrast to the oscillations and a relatively fast transfer that occurs when only seven sites or initialization at sites 1 and 6 is considered. Additionally we show that differences in the values of the electronic transition energies found in the literature lead to a large difference in the transfer dynamics

Motion of Rydberg atoms induced by resonant dipole-dipole interactions

We show that nuclear motion of Rydberg atoms can be induced by resonant dipole-dipole interactions that trigger the energy transfer between two energetically close Rydberg states. How and if the atoms move depends on their initial arrangement as well as on the initial electronic excitation. Using a mixed quantum/classical propagation scheme we obtain the trajectories and kinetic energies of atoms, initially arranged in a regular chain and prepared in excitonic eigenstates. The influence of off-diagonal disorder on the motion of the atoms is examined and it is shown that irregularity in the arrangement of the atoms can lead to an acceleration of the nuclear dynamics