172 resultados para Molecular quantum similarity measures
Resumo:
Entanglement is defined for each vector subspace of the tensor product of two finite-dimensional Hilbert spaces, by applying the notion of operator entanglement to the projection operator onto that subspace. The operator Schmidt decomposition of the projection operator defines a string of Schmidt coefficients for each subspace, and this string is assumed to characterize its entanglement, so that a first subspace is more entangled than a second, if the Schmidt string of the second majorizes the Schmidt string of the first. The idea is applied to the antisymmetric and symmetric tensor products of a finite-dimensional Hilbert space with itself, and also to the tensor product of an angular momentum j with a spin 1/2. When adapted to the subspaces of states of the nonrelativistic hydrogen atom with definite total angular momentum (orbital plus spin), within the space of bound states with a given total energy, this leads to a complete ordering of those subspaces by their Schmidt strings.
Resumo:
To examine the effects of recent habitat fragmentation, we assayed genetic diversity in a rain forest endemic lizard, the prickly forest skink (Gnypetoscincus queenslandiae), from seven forest fragments and five sites in continuous forest on the Atherton tableland of northeastern Queensland, Australia. The rain forest in this region was fragmented by logging and clearing for dairy farms in the early 1900s and most forest fragments studied have been isolated for 50-80 years or nine to 12 skink generations. We genotyped 411 individuals at nine microsatellite DNA loci and found fewer alleles per locus in prickly forest skinks from small rain forest fragments and a lower ratio of allele number to allele size range in forest fragments than in continuous forest, indicative of a decrease in effective population size. In contrast, and as expected for populations with small neighbourhood sizes, neither heterozygosity nor variance in allele size differed between fragments and sites in continuous forests. Considering measures of among population differentiation, there was no increase in F-ST among fragments and a significant isolation by distance pattern was identified across all 12 sites. However, the relationship between genetic (F-ST) and geographical distance was significantly stronger for continuous forest sites than for fragments, consistent with disruption of gene flow among the latter. The observed changes in genetic diversity within and among populations are small, but in the direction predicted by the theory of genetic erosion in recently fragmented populations. The results also illustrate the inherent difficulty in detecting genetic consequences of recent habitat fragmentation, even in genetically variable species, and especially when effective population size and dispersal rates are low.
Resumo:
Complementing our recent work on subspace wavepacket propagation [Chem. Phys. Lett. 336 (2001) 149], we introduce a Lanczos-based implementation of the Faber polynomial quantum long-time propagator. The original version [J. Chem. Phys. 101 (1994) 10493] implicitly handles non-Hermitian Hamiltonians, that is, those perturbed by imaginary absorbing potentials to handle unwanted reflection effects. However, like many wavepacket propagation schemes, it encounters a bottleneck associated with dense matrix-vector multiplications. Our implementation seeks to reduce the quantity of such costly operations without sacrificing numerical accuracy. For some benchmark scattering problems, our approach compares favourably with the original. (C) 2004 Elsevier B.V. All rights reserved.
Resumo:
Bound and resonance states of HO2 are calculated quantum mechanically using both the Lanczos homogeneous filter diagonalization method and the real Chebyshev filter diagonalization method for nonzero total angular momentum J=6 and 10, using a parallel computing strategy. For bound states, agreement between the two methods is quite satisfactory; for resonances, while the energies are in good agreement, the widths are in general agreement. The quantum nonzero-J specific unimolecular dissociation rates for HO2 are also calculated. (C) 2004 American Institute of Physics.
Resumo:
Bound and resonance states of HO2 have been calculated by both the complex Lanczos homogeneous filter diagonalisation (LHFD) method(1,2) and the real Chebyshev filter diagonalisation method(3,4) for non-zero total angular momentum J = 4 and 5. For bound states, the agreement between the two methods is quite satisfactory; for resonances while the energies are in good agreement, the widths are only in general agreement. The relative performances of the two iterative FD methods have also been discussed in terms of efficiency as well as convergence behaviour for such a computationally challenging problem. A helicity quantum number Ohm assignment (within the helicity conserving approximation) is performed and the results indicate that Coriolis coupling becomes more important as J increases and the helicity conserving approximation is not a good one for the HO2 resonance states.
Resumo:
We give a selective review of quantum mechanical methods for calculating and characterizing resonances in small molecular systems, with an emphasis on recent progress in Chebyshev and Lanczos iterative methods. Two archetypal molecular systems are discussed: isolated resonances in HCO, which exhibit regular mode and state specificity, and overlapping resonances in strongly bound HO2, which exhibit irregular and chaotic behavior. Recent progresses for non-zero total angular momentum J calculations of resonances including parallel computing models are also included and future directions in this field are discussed.
Resumo:
A quantum circuit implementing 5-qubit quantum-error correction on a linear-nearest-neighbor architecture is described. The canonical decomposition is used to construct fast and simple gates that incorporate the necessary swap operations allowing the circuit to achieve the same depth as the current least depth circuit. Simulations of the circuit's performance when subjected to discrete and continuous errors are presented. The relationship between the error rate of a physical qubit and that of a logical qubit is investigated with emphasis on determining the concatenated error correction threshold.
Resumo:
In this paper we investigate the effect of dephasing on proposed quantum gates for the solid-state Kane quantum computing architecture. Using a simple model of the decoherence, we find that the typical error in a controlled-NOT gate is 8.3x10(-5). We also compute the fidelities of Z, X, swap, and controlled Z operations under a variety of dephasing rates. We show that these numerical results are comparable with the error threshold required for fault tolerant quantum computation.
Resumo:
We provide optimal measurement schemes for estimating relative parameters of the quantum state of a pair of spin systems. We prove that the optimal measurements are joint measurements on the pair of systems, meaning that they cannot be achieved by local operations and classical communication. We also demonstrate that in the limit where one of the spins becomes macroscopic, our results reproduce those that are obtained by treating that spin as a classical reference direction.
Resumo:
We present an experimental analysis of quadrature entanglement produced from a pair of amplitude squeezed beams. The correlation matrix of the state is characterized within a set of reasonable assumptions, and the strength of the entanglement is gauged using measures of the degree of inseparability and the degree of Einstein-Podolsky-Rosen (EPR) paradox. We introduce controlled decoherence in the form of optical loss to the entangled state, and demonstrate qualitative differences in the response of the degrees of inseparability and EPR paradox to this loss. The entanglement is represented on a photon number diagram that provides an intuitive and physically relevant description of the state. We calculate efficacy contours for several quantum information protocols on this diagram, and use them to predict the effectiveness of our entanglement in those protocols.
Simulating quantum interference in a three-level system with perpendicular transition dipole moments
Resumo:
We consider a three-level V-type atomic system with the ground state coupled by a laser field to only one of the excited states, and with the two excited states coupled together by a dc field. Although the dipole moments of the two dipole-allowed transitions are assumed perpendicular, we demonstrate that this system emulates to a large degree a three-level system with parallel dipole moments-the latter being a system that exhibits quantum interference and displays a number of interesting features. As examples, we show that the system can produce extremely large values for the intensity-intensity correlation function, and that its resonance fluorescence spectrum can display ultranarrow lines. The dressed states for this system are identified, and the spectral features are interpreted in terms of transitions among these dressed states. We also show that this system is capable of exhibiting considerable squeezing.
Resumo:
We show that interesting multigate circuits can be constructed using a postselected controlled-sign gate that works with a probability (1/3)(n), where n-1 is the number of controlled-sign gates in the circuit, rather than (1/9)(n-1), as would be expected from a sequence of such gates. We suggest some quantum information tasks which could be demonstrated using these circuits, such as parity checking and cluster-state computation.
Resumo:
We present a fully quantum mechanical treatment of the nondegenerate optical parametric oscillator both below and near threshold. This is a nonequilibrium quantum system with a critical point phase transition, that is also known to exhibit strong yet easily observed squeezing and quantum entanglement. Our treatment makes use of the positive P representation and goes beyond the usual linearized theory. We compare our analytical results with numerical simulations and find excellent agreement. We also carry out a detailed comparison of our results with those obtained from stochastic electrodynamics, a theory obtained by truncating the equation of motion for the Wigner function, with a view to locating regions of agreement and disagreement between the two. We calculate commonly used measures of quantum behavior including entanglement, squeezing, and Einstein-Podolsky-Rosen (EPR) correlations as well as higher order tripartite correlations, and show how these are modified as the critical point is approached. These results are compared with those obtained using two degenerate parametric oscillators, and we find that in the near-critical region the nondegenerate oscillator has stronger EPR correlations. In general, the critical fluctuations represent an ultimate limit to the possible entanglement that can be achieved in a nondegenerate parametric oscillator.
Resumo:
We analyze molecular bound states of atomic quantum gases near a Feshbach resonance. A simple, renormalizable field theoretic model is shown to have exact solutions in the two-body sector, whose binding energy agrees well with observed experimental results in both Bosonic and Fermionic cases. These solutions, which interpolate between BEC and BCS theories, also provide a more general variational ansatz for resonant superfluidity and related problems.
Resumo:
We introduce a new class of quantum Monte Carlo methods, based on a Gaussian quantum operator representation of fermionic states. The methods enable first-principles dynamical or equilibrium calculations in many-body Fermi systems, and, combined with the existing Gaussian representation for bosons, provide a unified method of simulating Bose-Fermi systems. As an application relevant to the Fermi sign problem, we calculate finite-temperature properties of the two dimensional Hubbard model and the dynamics in a simple model of coherent molecular dissociation.