41 resultados para Quantum-mechanical calculation


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Calculations of gamma spectra for positron annihilation for a selection of molecules, including methane and its fluoro-substitutes, ethane, propane, butane and benzene are presented. The contribution to the ?-spectra from individual molecular orbitals is obtained from electron momentum distributions calculated using the density functional theory (DFT) based B3LYP/TZVP model. For positrons thermalised to room temperature, the calculation, in its simplest form, effectively treats the positron as a plane wave and gives positron annihilation ?-spectra linewidths that are broader (30-40%) than experiment, although the main chemical trends are reproduced. The main physical reason for this is the neglect of positron repulsion from the nuclei. We show that this effect can be incorporated through momentum-dependent correction factors, determined from positron-atom calculations, e.g., many-body perturbation theory. Inclusion of these factors in the calculation gives linewidths that are in improved agreement with experiment.

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Aiming to establish a rigorous link between macroscopic random motion (described e.g. by Langevin-type theories) and microscopic dynamics, we have undertaken a kinetic-theoretical study of the dynamics of a classical test-particle weakly coupled to a large heat-bath in thermal equilibrium. Both subsystems are subject to an external force field. From the (time-non-local) generalized master equation a Fokker-Planck-type equation follows as a "quasi-Markovian" approximation. The kinetic operator thus defined is shown to be ill-defined; in specific, it does not preserve the positivity of the test-particle distribution function f(x, v; t). Adopting an alternative approach, previously introduced for quantum open systems, is proposed to lead to a correct kinetic operator, which yields all the expected properties. A set of explicit expressions for the diffusion and drift coefficients are obtained, allowing for modelling macroscopic diffusion and dynamical friction phenomena, in terms of an external field and intrinsic physical parameters.

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We consider the distribution of entanglement from a multimode optical driving source to a network of remote and independent optomechanical systems. By focusing on the tripartite case, we analyse the effects that the features of the optical input states have on the degree and sharing structure of the distributed, fully mechanical, entanglement. This study, which is conducted looking at the mechanical steady state, highlights the structure of the entanglement distributed among the nodes and determines the relative efficiency between bipartite and tripartite entanglement transfer. We discuss a few open points, some of which are directed towards the bypassing of such limitations.

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We address the out-of-equilibrium thermodynamics of an isolated quantum system consisting of a cavity optomechanical device. We explore the dynamical response of the system when driven out of equilibrium by a sudden quench of the coupling parameter and compute analytically the full distribution of the work generated by the process. We consider linear and quadratic optomechanical coupling, where the cavity field is parametrically coupled to either the position or the square of the position of a mechanical oscillator, respectively. In the former case we find that the average work generated by the quench is zero, whilst the latter leads to a non-zero average value. Through fluctuations theorems we access the most relevant thermodynamical figures of merit, such as the free energy difference and the amount of irreversible work generated. We thus provide a full charac- terization of the out-of-equilibrium thermodynamics in the quantum regime for nonlinearly coupled bosonic modes. Our study is the first due step towards the construction and full quantum analysis of an optomechanical machine working fully out of equilibrium.

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We propose a feedback control mechanism for the squeezing of the phononic mode of a mechanical oscillator. We show how, under appropriate working conditions, a simple adiabatic approach is able to induce mechanical squeezing. We then go beyond the limitations of such a working point and demonstrate the stationary squeezing induced by using repeated measurements and reinitialization of the state of a two-level system ancilla coupled to the oscillator. Our nonadaptive feedback loop offers interesting possibilities for quantum state engineering and steering in open-system scenarios.

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We review the physics of hybrid optomechanical systems consisting of a mechanical oscillator interacting with both a radiation mode and an additional matterlike system. We concentrate on the cases embodied by either a single or a multi-atom system (a Bose-Einstein condensate, in particular) and discuss a wide range of physical effects, from passive mechanical cooling to the set-up of multipartite entanglement, from optomechanical nonlocality to the achievement of non-classical states of a single mechanical mode. The reviewed material showcases the viability of hybridised cavity optomechanical systems as basic building blocks for quantum communication networks and quantum state-engineering devices, possibly empowered by the use of quantum and optimal control techniques. The results that we discuss are instrumental to the promotion of hybrid optomechanical devices as promising experimental platforms for the study of nonclassicality at the genuine mesoscopic level.

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Optomechanics is currently believed to provide a promising route towards the achievement of genuine quantum effects at the large, massive-system scale. By using a recently proposed figure of merit that is well suited to address continuous-variable systems, in this paper we analyze the requirements needed for the state of a mechanical mode (embodied by an end-cavity cantilever or a membrane placed within an optical cavity) to be qualified as macroscopic. We show that, according to the phase space-based criterion that we have chosen for our quantitative analysis, the state achieved through strong single-photon radiation-pressure coupling to a quantized field of light and conditioned by measurements operated on the latter might be interpreted as macroscopically quantum. In general, though, genuine macroscopic quantum superpositions appear to be possible only under quite demanding experimental conditions

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A facile method to synthesize well-dispersed TiO2 quantum dots on graphene nanosheets (TiO2-QDs/GNs) in a water-in-oil (W/O) emulsion system is reported. The TiO2/graphene composites display high performance as an anode material for lithium-ion batteries (LIBs), such as having high reversible lithium storage capacity, high Coulombic efficiency, excellent cycling stability, and high rate capability. The excellent electrochemical performance and special structure of the composites thus offer a way to prepare novel graphene-based electrode materials for high-energy-density and high-power LIBs. 

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We consider an optomechanical quantum system composed of a single cavity mode interacting with N mechanical resonators. We propose a scheme for generating continuous-variable graph states of arbitrary size and shape, including the so-called cluster states for universal quantum computation. The main feature of this scheme is that, differently from previous approaches, the graph states are hosted in the mechanical degrees of freedom rather than in the radiative ones. Specifically, via a 2N-tone drive, we engineer a linear Hamiltonian which is instrumental to dissipatively drive the system to the desired target state. The robustness of this scheme is assessed against finite interaction times and mechanical noise, confirming it as a valuable approach towards quantum state engineering for continuous-variable computation in a solid-state platform.

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We apply the formalism of quantum estimation theory to extract information about potential collapse mechanisms of the continuous spontaneous localisation (CSL) form.
In order to estimate the strength with which the field responsible for the CSL mechanism couples to massive systems, we consider the optomechanical interaction
between a mechanical resonator and a cavity field. Our estimation strategy passes through the probing of either the state of the oscillator or that of the electromagnetic field that drives its motion. In particular, we concentrate on all-optical measurements, such as homodyne and heterodyne measurements.
We also compare the performances of such strategies with those of a spin-assisted optomechanical system, where the estimation of the CSL parameter is performed
through time-gated spin-like measurements.