Non-local quantum gates: a cavity-quantum-electrodynamics implementation

The problems related to the management of large quantum registers could be handled in the context of distributed quantum computation: unitary non-local transformations among spatially separated local processors are realized performing local unitary transformations and exchanging classical communication. In this paper, a scheme is proposed for the implementation of universal non-local quantum gates such as a controlled NOT (CNOT) and a controlled quantum phase gate (CQPG). The system chosen for their physical implementation is a cavity-quantum-electrodynamics (CQED) system formed by two spatially separated microwave cavities and two trapped Rydberg atoms. The procedures to follow for the realization of each step necessary to perform a specific non-local operation are described.

Quantum-state transfer in imperfect artificial spin networks

High-fidelity quantum computation and quantum state transfer are possible in short spin chains. We exploit a system based on a dispersive qubit-boson interaction to mimic XY coupling. In this model, the usually assumed nearest-neighbor coupling is no longer valid: all the qubits are mutually coupled. We analyze the performances of our model for quantum state transfer showing how preengineered coupling rates allow for nearly optimal state transfer. We address a setup of superconducting qubits coupled to a microstrip cavity in which our analysis may be applied.

Dynamical entanglement transfer for quantum-information networks

A key element in the architecture of a quantum-information processing network is a reliable physical interface between fields and qubits. We study a process of entanglement transfer engineering, where two remote qubits respectively interact with an entangled two-mode continuous-variable (CV) field. We quantify the entanglement induced in the qubit state at the expenses of the loss of entanglement in the CV system. We discuss the range of mixed entangled states which can be obtained with this setup. Furthermore, we suggest a protocol to determine the residual entangling power of the light fields inferring, thus, the entanglement left in the field modes which, after the interaction, are no longer in a Gaussian state. Two different setups are proposed: a cavity-QED system and an interface between superconducting qubits and field modes. We address in detail the practical difficulties inherent in these two proposals, showing that the latter is promising in many aspects.

Quantum-information processing with noisy cluster states

We provide an analysis of basic quantum-information processing protocols under the effect of intrinsic nonidealities in cluster states. These nonidealities are based on the introduction of randomness in the entangling steps that create the cluster state and are motivated by the unavoidable imperfections faced in creating entanglement using condensed-matter systems. Aided by the use of an alternative and very efficient method to construct cluster-state configurations, which relies on the concatenation of fundamental cluster structures, we address quantum-state transfer and various fundamental gate simulations through noisy cluster states. We find that a winning strategy to limit the effects of noise is the management of small clusters processed via just a few measurements. Our study also reinforces recent ideas related to the optical implementation of a one-way quantum computer.

Quantum nonlocality for a mixed entangled coherent state

Quantum nonlocality is tested for an entangled coherent state, interacting with a dissipative environment. A pure entangled coherent state violates Bell's inequality regardless of its coherent amplitude. The higher the initial nonlocality, the more rapidly quantum nonlocality is lost. The entangled coherent state can also be investigated in the framework of 2x2 Hilbert space. The quantum nonlocality persists longer in 2x2 Hilbert space. When it decoheres it is found that the entangled coherent state fails the nonlocality test, which contrasts with the fact that the decohered entangled state is always entangled.

Natural three-qubit interactions in one-way quantum computing

We address the effects of natural three-qubit interactions on the computational power of one-way quantum computation. A benefit of using more sophisticated entanglement structures is the ability to construct compact and economic simulations of quantum algorithms with limited resources. We show that the features of our study are embodied by suitably prepared optical lattices, where effective three-spin interactions have been theoretically demonstrated. We use this to provide a compact construction for the Toffoli gate. Information flow and two-qubit interactions are also outlined, together with a brief analysis of relevant sources of imperfection.

Quantum manifestations of scattering orbits in the scaled spectrum of a non-hydrogenic atom in crossed fields

Evidence for scattering closed orbits for the Rydberg electron of the singly excited helium atom in crossed electric and magnetic fields at constant scaled energy and constant scaled electric field strength has been found through a quantum calculation of the photo-excitation spectrum. A particular 3D scattering orbit in a mixed regular and chaotic region has been investigated and the hydrogenic 3D closed orbits composing it identified. To the best of our knowledge, this letter reports the first quantum calculation of the scaled spectrum of a non- hydrogenic atom in crossed fields.

Quantum manifestations of closed orbits in the photoexcitation scaled spectrum of the hydrogen atom in crossed fields

The scaled photoexcitation spectrum of the hydrogen atom in crossed electric and magnetic fields has been obtained by means of accurate quantum mechanical calculation using a new algorithm. Closed orbits in the corresponding classical system have also been obtained, using a new, efficient and practical searching procedure. Two new classes of closed orbit have been identified. Fourier transforming each photoexcitation quantum spectrum to yield a plot against scaled action has allowed direct comparison between peaks in such plots and the scaled action values of closed orbits, Excellent agreement has been found with all peaks assigned.

Computational challenges in atomic, molecular and optical physics

Six challenges are discussed. These are the laser-driven helium atom; the laser-driven hydrogen molecule and hydrogen molecular ion: electron scattering (with ionization) from one-electron atoms; the vibrational and rotational structure of molecules such as H-3(+) and water at their dissociation limits; laser- heated clusters; and quantum degeneracy and Bose-Einstein condensation. The first four concern fundamental few-body systems where use of high-performance computing (HPC) is currently making possible accurate modelling from first principles. This leads to reliable predictions and support for laboratory experiment as well as true understanding of the dynamics. Important aspects of these challenges addressable only via a terascale facility are set out. Such a facility makes the last two challenges in the above list meaningfully accessible for the first time, and the scientific interest together with the prospective role for HPC in these is emphasized.

Magnetically quantized continuum distorted-wave theory in atomic and molecular collisions

The continuum distorted-wave eikonal initial-state (CDW-EIS) theory of Crothers and McCann (J Phys B 1983, 16, 3229) used to describe ionization in ion-atom collisions is generalized (G) to GCDW-EIS to incorporate the azimuthal angle dependence of each CDW in the final-state wave function. This is accomplished by the analytic continuation of hydrogenic-like wave functions from below to above threshold, using parabolic coordinates and quantum numbers including magnetic quantum numbers, thus providing a more complete set of states. At impact energies lower than 25 keVu(-1), the total ionization cross-section falls off, with decreasing energy, too quickly in comparison with experimental data. The idea behind and motivation for the GCDW-EIS model is to improve the theory with respect to experiment by including contributions from nonzero magnetic quantum numbers. We also therefore incidentally provide a new derivation of the theory of continuum distorted waves for zero magnetic quantum numbers while simultaneously generalizing it. (C) 2004 Wiley Periodicals, Inc.

Kinetics of phase transformations in a model with metastable fluid-fluid separation: A molecular dynamics study

By molecular dynamics (MD) simulations we study the crystallization process in a model system whose particles interact by a spherical pair potential with a narrow and deep attractive well adjacent to a hard repulsive core. The phase diagram of the model displays a solid-fluid equilibrium, with a metastable fluid-fluid separation. Our computations are restricted to fairly small systems (from 2592 to 10368 particles) and cover long simulation times, with constant energy trajectories extending up to 76x10(6) MD steps. By progressively reducing the system temperature below the solid-fluid line, we first observe the metastable fluid-fluid separation, occurring readily and almost reversibly upon crossing the corresponding line in the phase diagram. The nucleation of the crystal phase takes place when the system is in the two-fluid metastable region. Analysis of the temperature dependence of the nucleation time allows us to estimate directly the nucleation free energy barrier. The results are compared with the predictions of classical nucleation theory. The critical nucleus is identified, and its structure is found to be predominantly fcc. Following nucleation, the solid phase grows steadily across the system, incorporating a large number of localized and extended defects. We discuss the relaxation processes taking place both during and after the crystallization stage. The relevance of our simulation for the kinetics of protein crystallization under normal experimental conditions is discussed. (C) 2002 American Institute of Physics.

Accurate and efficient non-adiabatic quantum molecular dynamics approach for laser-matter interactions

A non-adiabatic quantum molecular dynamics approach for treating the interaction of matter with intense, short-duration laser pulses is developed. This approach, which is parallelized to run on massively-parallel supercomputers, is shown to be both accurate and efficient. Illustrative results are presented for harmonic generation occurring in diatomic molecules using linearly polarized laser pulses.

Correlated electron-ion dynamics: the excitation of atomic motion by energetic electrons

Correlated electron-ion dynamics (CEID) is an extension of molecular dynamics that allows us to introduce in a correct manner the exchange of energy between electrons and ions. The formalism is based on a systematic approximation: small amplitude moment expansion. This formalism is extended here to include the explicit quantum spread of the ions and a generalization of the Hartree-Fock approximation for incoherent sums of Slater determinants. We demonstrate that the resultant dynamical equations reproduce analytically the selection rules for inelastic electron-phonon scattering from perturbation theory, which control the mutually driven excitations of the two interacting subsystems. We then use CEID to make direct numerical simulations of inelastic current-voltage spectroscopy in atomic wires, and to exhibit the crossover from ionic cooling to heating as a function of the relative degree of excitation of the electronic and ionic subsystems.

Power dissipation in nanoscale conductors: classical, semi-classical and quantum dynamics

Modelling Joule heating is a difficult problem because of the need to introduce correct correlations between the motions of the ions and the electrons. In this paper we analyse three different models of current induced heating (a purely classical model, a fully quantum model and a hybrid model in which the electrons are treated quantum mechanically and the atoms are treated classically). We find that all three models allow for both heating and cooling processes in the presence of a current, and furthermore the purely classical and purely quantum models show remarkable agreement in the limit of high biases. However, the hybrid model in the Ehrenfest approximation tends to suppress heating. Analysis of the equations of motion reveals that this is a consequence of two things: the electrons are being treated as a continuous fluid and the atoms cannot undergo quantum fluctuations. A means for correcting this is suggested.

Nature of quantum measurement for quantities not represented by Hermitian operators

In the case of a simple quantum system, we investigate the possibility of defining meaningful probabilities for a quantity that cannot be represented by a Hermitian operator. We find that the consistent-histories approach, recently applied to the case of quantum traversal time [N. Yamada, Phys. Rev. Lett. 83, 3350 (1999)], does not provide a suitable criterion and we dispute Yamada's claim of finding a simple solution to the tunneling-time problem. Rather, we define the probabilities for certain types of generally nonorthogonal decomposition of the system's quantum state. These relate to the interaction between the system and its environment, can be observed in a generalized von Neumann measurement, and are consistent with a particular class of positive-operator-valued measures.