arXiv subjects

Alexander Eisfeld

Publications and source records attributed to Alexander Eisfeld.

At least 19 recordsLinked to original sources

arXiv2026

Uniform process tensor approach for the calculation of multi-time correlation functions of non-Markovian open systems

The process tensor framework to open quantum systems provides the most general description of multi-time correlations in non-Markovian quantum dynamics. A compressed representation of a process tensor in terms of matrix product operators (MPO) can be used for numerically exact calculations of multi-time correlation functions in systems strongly coupled to a non-Markovian reservoir. We show here that the numerical scaling for computing multi-dimensional spectra can be significantly improved using a time-translation invariant MPO representation of the process tensor obtained from the uniform time-evolving matrix product operator (uniTEMPO) method. In particular, this approach provides a spectral representation of the non-Markovian dynamics that gives direct access to correlation functions in Fourier-space, avoiding explicit real-time evolution. We calculate linear and 2D electronic spectra for an example system and discuss the performance and numerical scaling of our simulations.

quant-ph↗

arXiv2025

Formally exact fluorescence spectroscopy simulations for mesoscale molecular aggregates with $N^0$ scaling

We present a size-invariant (i.e., $N^0$) scaling algorithm for simulating fluorescence spectroscopy in large molecular aggregates. We combine the dyadic adaptive hierarchy of pure states (DadHOPS) equation-of-motion with an operator decomposition scheme and an efficient Monte Carlo sampling algorithm to enable a formally exact, local description of the fluorescence spectrum in large molecular aggregates. Furthermore, we demonstrate that the ensemble average inverse participation ratio (IPR) of DadHOPS wave functions reproduces the delocalization extent extracted from fluorescence spectroscopy of J-aggregates with strong vibronic transitions. This work provides a computationally efficient framework for fluorescence simulations, offering a new tool for understanding the optical properties of mesoscale molecular systems.

physics.chem-ph↗

arXiv2024

Transferring vibrational states of trapped atoms via a Rydberg electron

We show theoretically that it is possible to coherently transfer vibrational excitation between trapped neutral atoms over a micrometer apart. To this end we consider three atoms, where two are in the electronic ground state and one is excited to a Rydberg state whose electronic orbital overlaps with the positional wave functions of the two ground-state atoms. The resulting scattering of the Rydberg electron with the ground-state atoms provides the interaction required to transfer vibrational excitation from one trapped atom to the other. By numerically investigating the dependence of the transfer dynamics on the distance between traps and their relative frequencies we find that there is a "sweet spot" where the transfer of a vibrational excitation is nearly perfect and fast compared to the Rydberg lifetime. We investigate the robustness of this scenario with respect to changes of the parameters. In addition, we derive a intuitive effective Hamiltonian which explains the observed dynamics.

physics.atom-ph↗

arXiv2024

Quantum transport enabled by non-adiabatic transitions

Quantum transport of charge or energy in networks with discrete sites is central to diverse quantum technologies, from molecular electronics to light harvesting and quantum opto-mechanical metamaterials. A one dimensional network can be viewed as waveguide. We show that if such waveguide is hybridised with a control unit that contains a few sites, then transmission through the waveguide depends sensitively on the motion of the sites in the control unit. Together, the hybrid waveguide and its control-unit form a Fano-Anderson chain whose Born-Oppenheimer surfaces inherit characteristics from both components: A bandstructure from the waveguide and potential energy steps as a function of site coordinates from the control-unit. Using time-dependent quantum wave packets, we reveal conditions under which the hybrid structure becomes transmissive only if the control unit contains mobile sites that induce non-adiabatic transitions between the surfaces. Hence, our approach provides functional synthetic Born-Oppenheimer surfaces for hybrid quantum technologies combining mechanic and excitonic elements, and has possible applications such as switching and temperature sensing.

quant-ph↗

arXiv2023

Topological edge states in a Rydberg composite

We examine topological phases and symmetry-protected electronic edge states in the context of a Rydberg composite: a Rydberg atom interfaced with a structured arrangement of ground-state atoms. The electronic Hamiltonian of such a composite possesses a direct mapping to a tight-binding Hamiltonian, which enables the realization and study of a variety of systems with non-trivial topology by tuning the arrangement of ground-state atoms and the excitation of the Rydberg atom. The Rydberg electron moves in a combined potential including the long-ranged Coulomb interaction with the Rydberg core and short-ranged interactions with each neutral atom; the effective interactions between sites are determined by this combination. We first confirm the existence of topologically-protected edge states in a Rydberg composite by mapping it to the paradigmatic Su-Schrieffer-Heeger dimer model. Following that, we study more complicated systems with trimer unit cells which can be easily simulated with a Rydberg composite.

quant-ph↗

arXiv2023

Synchronized states in dissipatively coupled harmonic oscillator networks

The question under which conditions oscillators with slightly different frequencies synchronize appears in various settings. We show that synchronization can be achieved even for harmonic oscillators that are bilinearly coupled via a purely dissipative interaction. By appropriately tuned gain/loss stable dynamics may be achieved where for the cases studied in this work all oscillators are synchronized. These findings are interpreted using the complex eigenvalues and eigenvectors of the non-Hermitian matrix describing the dynamics of the system.

nlin.CD↗

arXiv2022

Calculating non-linear response functions for multi-dimensional electronic spectroscopy using dyadic non-Markovian quantum state diffusion

We present a methodology for simulating multi-dimensional electronic spectra of molecular aggregates with coupling of electronic excitation to a structured environment using the stochastic non-Markovian quantum state diffusion (NMQSD) method in combination with perturbation theory for the response functions. A crucial aspect of our approach is that we propagate the NMQSD equation in a doubled system Hilbert space, but with the same noise. We demonstrate that our approach shows fast convergence with respect to the number of stochastic trajectories, providing a promising technique for numerical calculation of two-dimensional spectra of large molecular aggregates.

quant-ph↗

arXiv2022

Recompilation-enhanced simulation of electron-phonon dynamics on IBM Quantum computers

Simulating quantum systems is believed to be one of the first applications for which quantum computers may demonstrate a useful advantage. For many problems in physics, we are interested in studying the evolution of the electron-phonon Hamiltonian, for which efficient digital quantum computing schemes exist. Yet to date, no accurate simulation of this system has been produced on real quantum hardware. In this work, we consider the absolute resource cost for gate-based quantum simulation of small electron-phonon systems as dictated by the number of Trotter steps and bosonic energy levels necessary for the convergence of dynamics. We then apply these findings to perform experiments on IBM quantum hardware for both weak and strong electron-phonon coupling. Despite significant device noise, through the use of approximate circuit recompilation we obtain electron-phonon dynamics on current quantum computers comparable to exact diagonalisation. Our results represent a significant step in utilising near term quantum computers for simulation of quantum dynamics and highlight the novelty of approximate circuit recompilation as a tool for reducing noise.

quant-ph↗

arXiv2022

Excitation dynamics in polyacene molecules on rare-gas clusters

Laser-induced fluorescence spectra and excitation lifetimes of anthracene, tetracene, and pentacene molecules attached to the surface of solid argon clusters have been measured with respect to cluster size, density of molecules and excitation density. Results are compared to previous studies on the same sample molecules attached to neon clusters. A contrasting lifetime behavior of anthracene on neon and argon clusters is discussed, and mechanisms are suggested to interpret the results. Although both neon and argon clusters are considered to be weakly interacting environments, we find that the excitation decay dynamics of the studied acenes depends significantly on the cluster material. Moreover, we find even qualitative differences regarding the dependence on the dopant density. Based on these observations, previous assignments of collective radiative and non-radiative decay mechanisms are discussed in the context of the new experimental findings.

physics.chem-ph↗

arXiv2021

Gaussian Process Regression for Absorption Spectra Analysis of Molecular Dimers

A common task is the determination of system parameters from spectroscopy, where one compares the experimental spectrum with calculated spectra, that depend on the desired parameters. Here we discuss an approach based on a machine learning technique, where the parameters for the numerical calculations are chosen from Gaussian Process Regression (GPR). This approach does not only quickly converge to an optimal parameter set, but in addition provides information about the complete parameter space, which allows for example to identify extended parameter regions where numerical spectra are consistent with the experimental one. We consider as example dimers of organic molecules and aim at extracting in particular the interaction between the monomers, and their mutual orientation. We find that indeed the GPR gives reliable results which are in agreement with direct calculations of these parameters using quantum chemical methods.

quant-ph↗

arXiv2021

Anderson localization of a Rydberg electron

Highly excited Rydberg atoms inherit their level structure, symmetries, and scaling behavior from the hydrogen atom. We demonstrate that these fundamental properties enable a thermodynamic limit of a single Rydberg atom subjected to interactions with nearby ground state atoms. The limit is reached by simultaneously increasing the number of ground state atoms and the level of excitation of the Rydberg atom, for which the Coulomb potential supplies infinitely many and highly degenerate excited states. Our study reveals a surprising connection to an archetypal concept of condensed matter physics, Anderson localization, facilitated by a direct mapping between the Rydberg atom's electronic spectrum and the spectrum of a tight-binding Hamiltonian. The hopping amplitudes of this tight-binding system are determined by the arrangement of ground state atoms and can range from oscillatory and long-ranged to nearest-neighbor. In the latter we identify clear signatures of the Anderson localization of the Rydberg electron.

physics.atom-ph↗

arXiv2021

Simulation of absorption spectra of molecular aggregates: a Hierarchy of Stochastic Pure States approach

The simulation of spectroscopic observables for molecular aggregates with strong and structured coupling of electronic excitation to vibrational degrees of freedom is an important but challenging task. The hierarchy of pure states (HOPS) provides a formally exact solution based on local, stochastic trajectories. Exploiting the localization of HOPS for the simulation of absorption spectra in large aggregares requires a formulation in terms of normalized trajectories. Here we provide a normalized dyadic equation where the ket- and bra-states are propagated in different electronic Hilbert spaces. This work opens the door to apply adaptive HOPS methods for the simulation of absorption spectra and also to a formulation for non-linear spectroscopy that is perturbative with respect to interactions with the electric field.

quant-ph↗

arXiv2021

Non-Markovian Stochastic Schr\"odinger Equation: Matrix Product State Approach to the Hierarchy of Pure States

We derive a stochastic hierarchy of matrix product states (HOMPS) for non-Markovian dynamics in open quantum system at finite temperature, which is numerically exact and efficient. HOMPS is obtained from the recently developed stochastic hierarchy of pure states (HOPS) by expressing HOPS in terms of formal creation and annihilation operators. The resulting stochastic first order differential equation is then formulated in terms of matrix product states and matrix product operators. In this way the exponential complexity of HOPS can be reduced to scale polynomial with the number of particles. The validity and efficiency of HOMPS is demonstrated for the spin-boson model and long chains where each site is coupled to a structured, strongly non-Markovian environment.

quant-ph↗

arXiv2021

Fano Resonances in Quantum Transport with Vibrations

Quantum mechanical scattering involving continuum states coupled to a scatterer with a discrete spectrum gives rise to Fano resonances. Here we consider scatterers that possess internal vibrational degrees of freedom in addition to discrete states. Entanglement between the scattered excitation and vibrational modes complicates analytical and numerical calculations considerably. For the example of one-dimensional scattering we develop a multichannel quantum scattering approach which can determine reflection and transmission probabilities in the presence of vibrations. Application to a linear chain coupled to a control unit containing vibrating sites shows that vibrational degrees of freedom can have a profound effect on quantum transport. For suitable parameters, spectral regions which are opaque in the static case can be rendered transparent when vibrations are included. The formalism is general enough to be applicable to a variety of platforms for quantum transport including molecular aggregates, cold atom chains, quantum-dot arrays and molecular wires based on conjugated polymers.

quant-ph↗

arXiv2021

Nanoelectromechanical rotary current rectifier

Nanoelectromechanical systems (NEMS) are devices integrating electrical and mechanical functionality on the nanoscale. Because of individual electron tunneling, such systems can show rich self-induced, highly non-linear dynamics. We show theoretically that rotor shuttles, fundamental NEMS without intrinsic frequencies, are able to rectify an oscillatory bias voltage over a wide range of external parameters in a highly controlled manner, even if subject to the stochastic nature of electron tunneling and thermal noise. Supplemented by a simple analytic model, we identify different operational modes of charge rectification. Intriguingly, the direction of the current depends sensitively on the external parameters.

cond-mat.mes-hall↗

arXiv2021

Coherently delocalized states in dipole interacting Rydberg ensembles: the role of internal degeneracies

We investigate the effect of degenerate atomic states on the exciton delocalization of dipole-dipole interacting Rydberg assemblies. Using a frozen gas and regular one-, two-, and three-dimensional lattice arrangements as examples, we see that degeneracies can enhance the delocalization compared to the situation when there is no degeneracy. Using the Zeeman splitting provided by a magnetic field, we controllably lift the degeneracy to study in detail the transition between degenerate and non-degenerate regimes.

physics.atom-ph↗

arXiv2020

Two-dimensional spectroscopy of Rydberg gases

Two-dimensional (2D) spectroscopy uses multiple electromagnetic pulses to infer the properties of a complex system. A paradigmatic class of target systems are molecular aggregates, for which one can obtain information on the eigenstates, various types of static and dynamic disorder and on relaxation processes. However, two-dimensional spectra can be difficult to interpret without precise knowledge of how the signal components relate to microscopic Hamiltonian parameters and system-bath interactions. Here we show that two-dimensional spectroscopy can be mapped in the microwave domain to highly controllable Rydberg quantum simulators. By porting 2D spectroscopy to Rydberg atoms, we firstly open the possibility of its experimental quantum simulation, in a case where parameters and interactions are very well known. Secondly, the technique may provide additional handles for experimental access to coherences between system states and the ability to discriminate different types of decoherence mechanisms in Rydberg gases. We investigate the requirements for a specific implementation utilizing multiple phase coherent microwave pulses and a phase cycling technique to isolate signal components.

cond-mat.quant-gas↗

arXiv2020

Delocalization in two and three-dimensional Rydberg gases

As was recently shown in Ref. 1, many eigenstates of a random Rydberg gas with resonant dipole-dipole interactions are highly delocalized. Although the high degree of delocalization is generic to various types of power-law interactions and to both two and three-dimensional systems, in their detailed aspects the coherence distributions are sensitive to these parameters and vary dramatically between different systems. We calculate the eigenstates of both two and three-dimensional gases and quantify their delocalization throughout the atoms in the gas using a coherence measure. By contrasting the angular dependence of the dipole-dipole interaction with an isotropic interaction we obtain additional information about the generic physical principles underlying random interacting systems. We also investigate the density of states and microwave absorption spectra to obtain information about the types of measurements where these delocalized states play a role, and to check that these delocalized eigenstates are robust against various types of perturbation.

physics.atom-ph↗