High harmonic generation by halogen anions and noble gas atoms in a laser field

A comparative study of high harmonic generation (HHG) by atoms and ions with active p-electrons is carried out in the theoretical framework of the rescattering mechanism. The substate with m(l) = 0, i.e. zero orbital momentum projection along the electric vector of a linearly polarized laser wave, is found to give the major contribution to the HHG rate. Our calculations for HHG by an H atom in an excited 2p-state demonstrate that the rate for recombination into a final state with a different value of m(l) (= +/- 1), is higher for lower harmonic orders N, while for higher N (beyond the plateau domain) the difference vanishes. For species with closed electron shells, the m(l)-changing transitions are forbidden by the Pauli exclusion principle. We report absolute HHG rates for halogen ions and noble gas atoms at various intensities. These results demonstrate that the Coulomb binding potential of the atoms considerably enhances both the ionization and recombination steps in the rescattering process. However, the weak binding energy of the anions allows lower orders of HHG to be efficiently produced at relatively low intensities, from which we conclude that observation of HHG by an anion is experimentally feasible.

Energy levels and radiative rates for transitions in Mg-like iron, cobalt and nickel

Energy levels and radiative rates for electric dipole (E1) transitions among the lowest 141 levels of the (IS2 2s(2) 2P(6)) 3l(2) , 3l3l', and 3l4l configurations of Fe XV, Co XVI, and Ni XVII are calculated through the CIV3 code using extensive configuration-interact ion (CI) wavefunctions. The important relativistic effects are included through the Breit-Pauli approximation. In order to keep the calculated energy splittings close to the experimental values, we have made small adjustments to the diagonal elements of the Hamiltonian matrices. The energy levels, including their orderings, are in excellent agreement with the available experimental results for all three ions. However, experimental energies are only available for a few levels. Since mixing among some levels is found to be very strong, it becomes difficult to identify these uniquely. Additionally, some discrepancies with other theoretical work (particularly for Ni XVII) are very large. Therefore, in order to confirm the level ordering as well as to assess the accuracy of energy levels and radiative rates, we have performed two other independent calculations using the GRASP and FAC codes. These codes are fully relativistic, but the CI in the calculations is limited to the basic (minimum) configurations only. This enables us to assess the importance of including elaborate Cl for moderately charged ions. Additionally, we report results for electric quadrupole (E2), magnetic dipole (MI), and magnetic quadrupole (M2) transitions, and list lifetimes for all levels. Comparisons are made with other available experimental and theoretical results, and the accuracy of the present results is assessed. (c) 2007 Elsevier Inc. All rights reserved.

Insight into association reactions on metal surfaces: Density-functional theory studies of hydrogenation reactions on Rh(111)

Hydrogenation reaction, as one of the simplest association reactions on surfaces, is of great importance both scientifically and technologically. They are essential steps in many industrial processes in heterogeneous catalysis, such as ammonia synthesis (N-2+3H(2)-->2NH(3)). Many issues in hydrogenation reactions remain largely elusive. In this work, the NHx (x=0,1,2) hydrogenation reactions (N+H-->NH, NH+H-->NH2 and NH2+H-->NH3) on Rh(111) are used as a model system to study the hydrogenation reactions on metal surfaces in general using density-functional theory. In addition, C and O hydrogenation (C+H-->CH and O+H-->OH) and several oxygenation reactions, i.e., C+O, N+O, O+O reactions, are also calculated in order to provide a further understanding of the barrier of association reactions. The reaction pathways and the barriers of all these reactions are determined and reported. For the C, N, NH, and O hydrogenation reactions, it is found that there is a linear relationship between the barrier and the valency of R (R=C, N, NH, and O). Detailed analyses are carried out to rationalize the barriers of the reactions, which shows that: (i) The interaction energy between two reactants in the transition state plays an important role in determining the trend in the barriers; (ii) there are two major components in the interaction energy: The bonding competition and the direct Pauli repulsion; and (iii) the Pauli repulsion effect is responsible for the linear valency-barrier trend in the C, N, NH, and O hydrogenation reactions. For the NH2+H reaction, which is different from other hydrogenation reactions studied, the energy cost of the NH2 activation from the IS to the TS is the main part of the barrier. The potential energy surface of the NH2 on metal surfaces is thus crucial to the barrier of NH2+H reaction. Three important factors that can affect the barrier of association reactions are generalized: (i) The bonding competition effect; (ii) the local charge densities of the reactants along the reaction direction; and (iii) the potential energy surface of the reactants on the surface. The lowest energy pathway for a surface association reaction should correspond to the one with the best compromise of these three factors. (C) 2003 American Institute of Physics.

Electron-impact excitation of O II fine-structure levels.

Effective collision strengths for forbidden transitions among the five energetically lowest fine-structure levels of O ii are calculated in the Breit-Pauli approximation using the R-matrix method. Results are presented for the electron temperature range 100-100 000 K. The accuracy of the calculations is evaluated via the use of different types of radial orbital sets and a different configuration expansion basis for the target wavefunctions. A detailed assessment of previous available data is given, and erroneous results are highlighted. Our results reconfirm the validity of the original Seaton and Osterbrock scaling for the optical O ii ratio, a matter of some recent controversy. Finally, we present plasma diagnostic diagrams using the best collision strengths and transition probabilities.

Electron-impact excitation of Fe II: Effective collision strengths for optically allowed fine-structure transitions

In this paper. we present collision strengths and Maxwellian averaged effective collision strengths for the electron-impact excitation of Fe II. We consider specifically the optically allowed lines for transitions from the 3d(6)4s and 3d(7) even parity configuration states to the 3d(6)4p odd parity configuration levels. The parallel suite of Breit-Pauli codes are utilized to compute the collision cross-sections where relativistic effects are included explicitly in both the target and the scattering approximation. A total of 100 LS or 262-jj levels formed from the basis configurations 3d(6)4s, 3d(7) and 3d(6)4p were included in the wave-function representation of the target, including all doublet. quartet and sextet terms. The Maxwellian averaged effective collision strengths are computed across a wide range of electron temperatures from 100 to 100,000 K, temperatures of importance in astrophysical and plasma applications. A detailed comparison is made with previous works and significant differences were found to occur for some of the transitions considered. We conclude that in order to obtain converged collision strengths and effective collision strengths for these allowed transitions it is necessary to include contributions from partial waves up to L = 50 explicitly in the calculation, and in addition, account for contributions from even higher partial waves through a "top up" procedure.

Non-locality of two ultracold trapped atoms

We undertake a detailed analysis of the non-local properties of the fundamental problem of two trapped, distinguishable neutral atoms that interact with a short-range potential characterized by an s-wave scattering length. We show that this interaction generates continuous variable (CV) entanglement between the external degrees of freedom of the atoms and consider its behaviour as a function of both, the distance between the traps and the magnitude of the inter-particle scattering length. We first quantify the entanglement in the ground state of the system at zero temperature and then, adopting a phase-space approach, test the violation of the Clauser-Horn-Shimony-Holt inequality at zero and non-zero temperature and under the effects of general dissipative local environments.

Electron-impact excitation of Fe II

We report in this paper the computation of accurate total collision strengths and effective collision strengths for electron-impact excitation of FeII, using the parallel R-matrix program PRMAT. Target states corresponding to the 3d(6)4s, 3d(7), 3d(6)4p and 3d(5)4s4s basis configurations were included in the calculations giving rise to a 113 LS state 354 coupled channel problem. Following a detailed systematic study of correlation effects in both the target state and collision wavefunctions, it was found that an additional 21 configuration functions needed to be included in the Configuration Interaction expansion to obtain significantly more accurate target states and collision wavefunctions. This much improved 26-configuration model has been used to calculate converged total effective collision strengths for all sextet to quartet transitions among these levels with total spin S=2, giving a total of 1785 lines. These calculations have laid the foundation for an approach which may be adopted in the study of electron collisions with the low ionization stages of other iron peak elements. The work has been further extended with the commencement of a Breit-Pauli relativistic calculation for one of the smaller models and includes 262 fine-structure levels and over 1800 coupled channels. At the same time the PRMAT parallel R-matrix package is being extended to include relativistic effects which will allow us to attempt the more sophisticated 26-configuration model and produce for the first time the amount and quality of atomic data required to perform a meaningful synthesis of the Fe II spectrum.

Violation of Bell's inequalities with preamplified homodyne detection

We show that the use of probabilistic noiseless amplification in entangled coherent state-based schemes for the test of quantum nonlocality provides substantial advantages. The threshold amplitude to falsify a Bell-CHSH nonlocality test, in fact, is significantly reduced when amplification is embedded into the test itself. Such a beneficial effect holds also in the presence of detection inefficiency. Our study helps in affirming noiseless amplification as a valuable tool for coherent information processing and the generation of strongly nonclassical states of bosonic systems.

Using macroscopic entanglement to close the detection loophole in Bell-inequality tests

We consider a Bell-like inequality performed using various instances of multiphoton entangled states to demonstrate that losses occurring after the unitary transformations used in the nonlocality test can be counteracted by enhancing the size of such entangled states. In turn, this feature can be used to overcome detection inefficiencies affecting the test itself: a slight increase in the size of such states, pushing them towards a more macroscopic form of entanglement, significantly improves the state robustness against detection inefficiency, thus easing the closing of the detection loophole. Differently, losses before the unitary transformations cause decoherence effects that cannot be compensated using macroscopic entanglement.

Electron impact excitation of Mg VIII: Collision strengths, transition probabilities and theoretical EUV and soft X-ray line intensities for Mg VIII

Context: Mg VIII emission lines are observed in a range of astronomical objects such as the Sun, other cool stars and in the coronal line region of Seyfert galaxies. Under coronal conditions Mg VIII emits strongly in the extreme ultraviolet (EUV) and soft X-ray spectral regions which makes it an ideal ion for plasma diagnostics.

Aims. Two theoretical atomic models, consisting of 125 fine structure levels, are developed for the Mg VIII ion. The 125 levels arise from the 2s(2)2p, 2s(2)p2, 2p(3), 2s(2)3s, 2s(2)3p, 2s(2)3d, 2s2p3s, 2s2p3p, 2s2p3d, 2p(2)3s, 2p(2)3p and 2p(2)3d configurations. Electron impact excitation collision strengths and radiative transition probabilities are calculated for both Mg VIII models, compared with existing data, and the best model selected to generate a set of theoretical emission line intensities. The EUV lines, covering 312-790 angstrom, are compared with existing solar spectra (SERTS-89 and SUMER), while the soft X-ray transitions (69-97 angstrom) are examined for potential density diagnostic line ratios and also compared with the limited available solar and stellar observational data.

Methods. The R-matrix codes Breit-Pauli RMATRXI and RMATRXII are utilised, along with the PSTGF code, to calculate the collision strengths for two Mg VIII models. Collision strengths are averaged over a Maxwellian distribution to produce the corresponding effective collision strengths for use in astrophysical applications. Transition probabilities are also calculated using the CIV3 atomic structure code. The best data are then incorporated into the modelling code CLOUDY and line intensities generated for a range of electron temperatures and densities appropriate to solar and stellar coronal plasmas.

Results. The present effective collision strengths are compared with two previous calculations. Good levels of agreement are found with the most recent, but there are large differences with the other for forbidden transitions. The resulting line intensities compare favourably with the observed values from the SERTS-89 and SUMER spectra. Theoretical soft X-ray emission lines are presented and several density diagnostic line ratios examined, which are in reasonable agreement with the limited observational data available.

Electron-impact excitation of FeII - Collision strengths and effective collision strengths for low-lying fine-structure forbidden transitions

Context. Absorption or emission lines of Fe II are observed in many astrophysical spectra and accurate atomic data are required to interpret these lines. The calculation of electron-impact excitation rates for transitions among even the lowest lying levels of Fe II is a formidable task for theoreticians.

Aims. In this paper, we present collision strengths and effective collision strengths for electron-impact excitation of Fe II for low-lying forbidden transitions among the lowest 16 fine-structure levels arising from the four LS states 3d(6)4s D-6(e), 3d(7) F-4(e), 3d(6)4s D-4(e), and 3d(7) P-4(e). The effective collision strengths are calculated for a wide range of electron temperatures of astrophysical importance from 30-100 000 K.

Methods. The parallel suite of Breit-Pauli codes are utilised to compute the collision cross sections for electron-impact excitation of Fe II and relativistic terms are included explicitly in both the target and the scattering approximation. 100 LS or 262-jj levels formed from the basis configurations 3d(6)4s, 3d(7), and 3d(6)4p were included in the wavefunction representation of the target, including all doublet, quartet, and sextet terms. Collision strengths for a total of 34191 individual transitions were computed.

Results. A detailed comparison is made with previous theoretical works and significant differences were found to occur in the effective collision strengths, particularly at low temperatures.

Topology of megagauss magnetic fields and of heat-carrying electrons produced in a high-power laser-solid interaction

The intricate spatial and energy distribution of magnetic fields, self-generated during high power laser irradiation (at Iλ2∼1013-1014W.cm-2.μm2) of a solid target, and of the heat-carrying electron currents, is studied in inertial confinement fusion (ICF) relevant conditions. This is done by comparing proton radiography measurements of the fields to an improved magnetohydrodynamic description that fully takes into account the nonlocality of the heat transport. We show that, in these conditions, magnetic fields are rapidly advected radially along the target surface and compressed over long time scales into the dense parts of the target. As a consequence, the electrons are weakly magnetized in most parts of the plasma flow, and we observe a reemergence of nonlocality which is a crucial effect for a correct description of the energetics of ICF experiments.

Oscillator strengths and transition probabilities for the W xlv ion

In this paper we present oscillator strengths and transition probabilities for W xlv transitions between levels arising from configurations 3d¹⁰4s²,4p²,4d², 3d¹⁰4k4l (k = s,p,d,f and l = p,d,f), 3d⁹4s²4l (l = p,d,f) and 3d⁹4s4p². The model used to calculate these contained all configurations which can be constructed from the available orbitals (up to n = 4), with either a 3d¹⁰ or 3d⁹ core. The calculations were performed with the configuration interaction CIV3 program with the inclusion of relativistic effects achieved through the use of the Breit-Pauli approximation. We compare our ab initio energy levels, oscillator strengths and transition rates with other experimental and theoretical values available in the literature. There is generally good agreement when only levels with 3d¹⁰ cores are considered. The literature is sparse for levels in which the 3d-subshell is opened: for the majority of the fine-structure lines considered, there is either no comparison data available or substantial differences are found. This paper also investigates how the inclusion of relativistic effects can result in a significant redistribution of the oscillator strength from the LS calculations.

Experimental linear-optics simulation of multipartite non-locality in the ground state of a quantum Ising ring

Critical phenomena involve structural changes in the correlations of its constituents. Such changes can be reproduced and characterized in quantum simulators able to tackle medium-to-large-size systems. We demonstrate these concepts by engineering the ground state of a three-spin Ising ring by using a pair of entangled photons. The effect of a simulated magnetic field, leading to a critical modification of the correlations within the ring, is analysed by studying two- and three-spin entanglement. In particular, we connect the violation of a multipartite Bell inequality with the amount of tripartite entanglement in our ring.

Hybrid optomechanics for Quantum Technologies

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.