Ab initio calculation of H + He+^+ charge transfer cross sections for plasma physics

The charge transfer in low energy (0.25 to 150 eV/amu) H($nl$) + He$^+(1s)$ collisions is investigated using a quasi-molecular approach for the $n=2,3$ as well as the first two $n=4$ singlet states. The diabatic potential energy curves of the HeH$^+$ molecular ion are obtained from the adiabatic potential energy curves and the non-adiabatic radial coupling matrix elements using a two-by-two diabatization method, and a time-dependent wave-packet approach is used to calculate the state-to-state cross sections. We find a strong dependence of the charge transfer cross section in the principal and orbital quantum numbers $n$ and $l$ of the initial or final state. We estimate the effect of the non-adiabatic rotational couplings, which is found to be important even at energies below 1 eV/amu. However, the effect is small on the total cross sections at energies below 10 eV/amu. We observe that to calculate charge transfer cross sections in a $n$ manifold, it is only necessary to include states with $n^{\prime}\leq n$, and we discuss the limitations of our approach as the number of states increases.Comment: 14 pages, 10 figure

Simulation of the elementary evolution operator with the motional states of an ion in an anharmonic trap

Following a recent proposal of L. Wang and D. Babikov, J. Chem. Phys. 137, 064301 (2012), we theoretically illustrate the possibility of using the motional states of a $Cd^+$ ion trapped in a slightly anharmonic potential to simulate the single-particle time-dependent Schr\"odinger equation. The simulated wave packet is discretized on a spatial grid and the grid points are mapped on the ion motional states which define the qubit network. The localization probability at each grid point is obtained from the population in the corresponding motional state. The quantum gate is the elementary evolution operator corresponding to the time-dependent Schr\"odinger equation of the simulated system. The corresponding matrix can be estimated by any numerical algorithm. The radio-frequency field able to drive this unitary transformation among the qubit states of the ion is obtained by multi-target optimal control theory. The ion is assumed to be cooled in the ground motional state and the preliminary step consists in initializing the qubits with the amplitudes of the initial simulated wave packet. The time evolution of the localization probability at the grids points is then obtained by successive applications of the gate and reading out the motional state population. The gate field is always identical for a given simulated potential, only the field preparing the initial wave packet has to be optimized for different simulations. We check the stability of the simulation against decoherence due to fluctuating electric fields in the trap electrodes by applying dissipative Lindblad dynamics.Comment: 31 pages, 8 figures. Revised version. New title, new figure and new reference

Towards Laser Control of Open Quantum Systems: Memory Effects

Laser control of Open Quantum Systems (OQS) is a challenging issue as compared to its counterpart in isolated small size molecules, basically due to very large numbers of degrees of freedom to be accounted for. Such a control aims at appropriately optimizing decoherence processes of a central two-level system (a given vibrational mode, for instance) towards its environmental bath (including, for instance, all other normal modes). A variety of applications could potentially be envisioned, either to preserve the central system from decaying (long duration molecular alignment or orientation, qubit decoherence protection) or, to speed up the information flow towards the bath (efficient charge or proton transfers in long chain organic compounds). Achieving such controls require some quantitative measures of decoherence in relation with memory effects in the bath response, actually given by the degree of non-Markovianity. Characteristic decoherence rates of a Spin-Boson model are calculated using a Nakajima-Zwanzig type master equation with converged HEOM expansion for the memory kernel. It is shown that, by adequately tuning the two-level transition frequency through a controlled Stark shift produced by an external laser field, non-Markovianity can be enhanced in a continuous way leading to a first attempt towards the control of OQS

The role of the multiple excitation manifold in a driven quantum simulator of an antenna complex

Biomolecular light-harvesting antennas operate as nanoscale devices in a regime where the coherent interactions of individual light, matter and vibrational quanta are non-perturbatively strong. The complex behaviour arising from this could, if fully understood, be exploited for myriad energy applications. However, non-perturbative dynamics are computationally challenging to simulate, and experiments on biomaterials explore very limited regions of the non-perturbative parameter space. So-called `quantum simulators' of light-harvesting models could provide a solution to this problem, and here we employ the hierarchical equations of motion technique to investigate recent superconducting experiments of Poto{\v{c}}nik $\it{et}$ $\it{al.}$ (Nat. Com. 9, 904 (2018)) used to explore excitonic energy capture. By explicitly including the role of optical driving fields, non-perturbative dephasing noise and the full multi-excitation Hilbert space of a three-qubit quantum circuit, we predict the measureable impact of these factors on transfer efficiency. By analysis of the eigenspectrum of the network, we uncover a structure of energy levels that allows the network to exploit optical `dark' states and excited state absorption for energy transfer. We also confirm that time-resolvable coherent oscillations could be experimentally observed, even under strong, non-additive action of the driving and optical fields

Observation of resonance trapping in an open microwave cavity

The coupling of a quantum mechanical system to open decay channels has been theoretically studied in numerous works, mainly in the context of nuclear physics but also in atomic, molecular and mesoscopic physics. Theory predicts that with increasing coupling strength to the channels the resonance widths of all states should first increase but finally decrease again for most of the states. In this letter, the first direct experimental verification of this effect, known as resonance trapping, is presented. In the experiment a microwave Sinai cavity with an attached waveguide with variable slit width was used.Comment: to be published in Phys. Rev. Let

Not gate in a cis-trans photoisomerization model

We numerically study the implementation of a NOT gate by laser pulses in a model molecular system presenting two electronic surfaces coupled by non adiabatic interactions. The two states of the bit are the fundamental states of the cis-trans isomers of the molecule. The gate is classical in the sense that it involves a one-qubit flip so that the encoding of the outputs is based on population analysis which does not take the phases into account. This gate can also be viewed as a double photo-switch process with the property that the same electric field controls the two isomerizations. As an example, we consider one-dimensional cuts in a model of the retinal in rhodopsin already proposed in the literature. The laser pulses are computed by the Multi Target Optimal Control Theory with chirped pulses as trial fields. Very high fidelities are obtained. We also examine the stability of the control when the system is coupled to a bath of oscillators modelled by an Ohmic spectral density. The bath correlation time scale being smaller than the pulse duration the dynamics is carried out in the Markovian approximation.Comment: 29 pages, 7 figure

Resonance trapping and saturation of decay widths

Resonance trapping appears in open many-particle quantum systems at high level density when the coupling to the continuum of decay channels reaches a critical strength. Here a reorganization of the system takes place and a separation of different time scales appears. We investigate it under the influence of additional weakly coupled channels as well as by taking into account the real part of the coupling term between system and continuum. We observe a saturation of the mean width of the trapped states. Also the decay rates saturate as a function of the coupling strength. The mechanism of the saturation is studied in detail. In any case, the critical region of reorganization is enlarged. When the transmission coefficients for the different channels are different, the width distribution is broadened as compared to a chi_K^2 distribution where K is the number of channels. Resonance trapping takes place before the broad state overlaps regions beyond the extension of the spectrum of the closed system.Comment: 18 pages, 8 figures, accepted by Phys. Rev.

Collectivity, Phase Transitions and Exceptional Points in Open Quantum Systems

Phase transitions in open quantum systems, which are associated with the formation of collective states of a large width and of trapped states with rather small widths, are related to exceptional points of the Hamiltonian. Exceptional points are the singularities of the spectrum and eigenfunctions, when they are considered as functions of a coupling parameter. In the present paper this parameter is the coupling strength to the continuum. It is shown that the positions of the exceptional points (their accumulation point in the thermodynamical limit) depend on the particular type and energy dependence of the coupling to the continuum in the same way as the transition point of the corresponding phase transition.Comment: 22 pages, 4 figure