H.L. Zhang

The Los Alamos suite of relativistic atomic physics codes

The Los Alamos suite of relativistic atomic physics codes is a robust, mature platform that has been used to model highly charged ions in a variety of ways. The suite includes capabilities for calculating data related to fundamental atomic structure, as well as the processes of photoexcitation, electron-impact excitation and ionization, photoionization and autoionization within a consistent framework. These data can be of a basic nature, such as cross sections and collision strengths, which are useful in making predictions that can be compared with experiments to test fundamental theories of highly charged ions, such as quantum electrodynamics. The suite can also be used to generate detailed models of energy levels and rate coefficients, and to apply them in the collisional-radiative modeling of plasmas over a wide range of conditions. Such modeling is useful, for example, in the interpretation of spectra generated by a variety of plasmas. In this work, we provide a brief overview of the capabilities within the Los Alamos relativistic suite along with some examples of its application to the modeling of highly charged ions.

Los Alamos Opacities: Transition from LEDCOP to ATOMIC

This paper discusses the development of the ATOMIC code, a new low to mid Z opacity code, which will replace the current Los Alamos low Z opacity code LEDCOP. The ATOMIC code is based on the FINE code, long used by the Los Alamos group for spectral comparisons in local thermodynamic equilibrium (LTE) and for non‐LTE calculations, utilizing the extensive databases from the atomic physics suite of codes based on the work of R. D. Cowan. Many of the plasma physics packages in LEDCOP, such as line broadening and free‐free absorption, are being transferred to the new ATOMIC code. A new equation of state (EOS) model is being developed to allow higher density calculations than were possible with either the FINE or LEDCOP codes. Extensive modernization for both ATOMIC and the atomic physics code suites, including conversion to Fortran 90 and parallelization, are under way to speed up the calculations and to allow the use of expanded databases for both the LTE opacity tables and the non‐LTE calculations. Future pl...

Model comparisons for high-Z non-LTE steady-state calculations

Abstract Advances in computer technology and code development have made it possible to perform plasma kinetics calculations based on high- Z atomic structure corresponding to different levels of detail. Various atomic models have been implemented in the Los Alamos suite of codes in recent years for performing detailed non-equilibrium kinetics calculations. These include non-relativistic configuration average models with unresolved transition arrays (UTA), detailed fine structure models including configuration interaction and intermediate coupling that are capable of achieving spectroscopic accuracy for low- Z plasmas, and fully relativistic configuration average models employing the concept of the unresolved transition array, UTA, for modeling high- Z plasmas. Fully relativistic fine structure calculations have also been implemented and used primarily for accuracy checks. In addition, the fractional occupation number method has been introduced in the relativistic structure code to reduce computational times without reducing data quality. Finally, we will discuss a method that has been developed to use the populations extracted from a non-relativistic kinetics calculation in a relativistic spectral simulation. The purpose of the present work is to compare the emission spectra predicted by the various models and methods using consistent sets of atomic electron configurations and cross-sections for a gold plasma.

A collisional-radiative study of low temperature tungsten plasma

A detailed fine-structure collisional radiative model with thousands of levels is developed to calculate the radiative properties of tungsten plasma in the low temperature range of 1–2 eV and a nominal ITER electron density of 1014 cm−3. A large configuration-average model is used to choose the important configurations for the fine-structure model. Calculations including the effect of configuration interaction and cross sections with various levels of approximation are compared. The calculations presented here should be of interest to the continuing efforts to model the radiative losses in large magnetic fusion devices, where relatively cold tungsten is found in the divertor region.

X-ray line polarization spectroscopy of Li-like Si satellite line spectra

We apply the magnetic-sublevel atomic kinetics model POLAR to the calculation of polarization properties of satellite lines in Li-like Si driven by subpicosecond-duration laser pulses. We identify spectral lines whose polarization can serve as a marker of plasma anisotropy due to anisotropy in the electron distribution function. We also discuss the utility and limitations of ur current theoretical approach and point out possible future improvements and directions.

Inner-shell electron-impact ionization of neutral atoms

Inelastic vibronic ionization (IVI) in the presence of an intense laser field refers to the process of ionization of a target molecule accompanied by vibrational excitation of the residual molecular ion. The recently proposed intense-field many-body S-matrix theory of IVI is presented and applied to investigate the distributions of the vibrational states of the residual H{sub 2}{sup +} ion from ionization of H{sub 2} molecule, and the results are compared with the experimental data. The characteristic features of the calculated distributions are found to agree well with those observed. The shift of the IVI distributions toward the lower vibrational states compared to the Frank-Condon distributions, the positions of the maxima of the distributions, as well as the reversal of the maximum from a lower vibrational state to a higher vibrational state (peak-reversal) are analyzed. The results of the adiabatic nuclei theory and the frozen nuclei approximation are compared to assess the latter. Influences of the choice of the vibrational wave functions on the calculated distributions, the dependence of the distributions on the alignments of the molecular axis with respect to the linear polarization direction of the laser, and the effect of circular polarization of the laser on the IVI distributionmorexa0» are discussed. Possible origins of the remaining discrepancy in the individual heights of the calculated vs. measured yields are pointed out. Finally, an isotopic shift of the IVI distributions toward the higher vibrational states, for the heavier isotopes, is predicted and the corresponding distributions for the two isotopes HD and D{sub 2} are given.«xa0lessWe study the influence of delayed optical feedback from a short external cavity (EC) on the emission dynamics of vertical-cavity surface-emitting semiconductor lasers (VCSELs). We find the emergence of pulse packages (PP) exhibiting characteristics which originate from the interplay of time-delay induced dynamics and polarization mode (PM) competition. We provide detailed analysis of the polarization dynamics applying complementary cross-correlation and spectral analysis techniques. The analysis reveals an interplay of the dynamics linked to the hierarchy of time scales present in the laser system: the fast time scale of the EC delay, the slower time scale of the PP, and the slow time scale of the polarization mode competition. For an analysis of the dynamics we provide a toolbox of methods adapted to the different relevant time scales and temporal variations of the dynamics. This complementary view unveils distinct changes in the relative oscillation phase of the two PM for increasing the injection current on both the fast and the slow time scales. Our results emphasize the significance of the polarization mode competition for PP dynamics in VCSELs, contrasting the observed behavior to what was reported for edge emitters.Hyperfine splittings in the 4d{sub 1}{sup }, 4d{sub 3}, 4d{sub 4}, and 4d{sub 5} states of the 4p{sup 5}5d configuration of {sup 83}Kr (I=9/2) have been measured using two-step laser excitation. The corresponding hyperfine coupling constants A and B are negative (with one exception) and range from -400 to +85 MHz.We present the results of a set of quantum and semiclassical simulations of the response of H{sub 2}{sup +} molecular ions, when submitted to a strong and ultrashort (femtosecond) infrared laser pulse. Going beyond the framework of the fixed nuclei (Born-Oppenheimer) approximation, we have addressed several questions related to the competition between excitation, dissociation, and ionization. In this context, it is shown that semiclassical simulations can provide valuable informations about the dynamics of the processes considered.By a comparative analysis of the emission of highly charged ions and energetic electrons the interaction dynamics of intense femtosecond laser fields (10{sup 13}-10{sup 14} W/cm{sup 2}) with nanometer-sized silver clusters is investigated. Using dual laser pulses with variable optical delay the time-dependent cluster response is resolved. A dramatic increase both in the atomic charge state of the ions and the maximum electron kinetic energy is observed for a certain delay of the pulses. Corresponding Vlasov calculations on a metal cluster model system indicate that enhanced cluster ionization as well as the generation of fast electrons coincide with resonant plasmon excitation.A study is made of low-energy electron-impact single ionization of ground-state helium. The time-dependent close-coupling method is used to calculate total integral, single differential, double differential, and triple differential ionization cross sections for impact electron energies ranging from 32 to 45 eV. For all quantities, the calculated cross sections are found to be in very good agreement with experiment, and for the triple differential cross sections, good agreement is also found with calculations made using the convergent close-coupling technique.The ionization of xenon Rydberg atoms excited to the lowest states in the n=17 and n=20 Stark manifolds at a flat Au(111) surface is investigated. Despite the strong perturbations in the energies and structure of the atomic states that occur as the surface is approached, it is shown that, under appropriate conditions, each incident atom can be detected as an ion and that the experimental data can be well fit by assuming that the ionization rate on average increases exponentially as the surface is approached. The ionization rates are compared to theoretical predictions.We analyze how entanglement between two components of a bipartite system behaves under the action of local channels of the form ExI. We show that a set of maximally entangled states is by the action of ExI transformed into the set of states that exhibit the same degree of entanglement. Moreover, this degree represents an upper bound on entanglement that is available at the output of the channel irrespective of what the input state of the composite system is. We show that within this bound the entanglement-induced state ordering is relative and can be changed by the action of local channels. That is, two states {rho}{sub 1}{sup (in)} and {rho}{sub 2}{sup (in)} such that the entanglement E[{rho}{sub 1}{sup (in)}] of the first state is larger than the entanglement E[{rho}{sub 2}{sup (in)}] of the second state are transformed into states {rho}{sub 1}{sup (out)} and {rho}{sub 2}{sup (out)} such that E[{rho}{sub 2}{sup (out)}]>E[{rho}{sub 1}{sup (out)}].Electron-impact ionization cross sections for H{sub 2} are calculated using a nonperturbative time-dependent close-coupling method. In a standard frozen-core approximation, the six-dimensional wave function for the valence target electron and the incident projectile electron is expanded in products of rotational functions. The time-dependent Schroedinger equation for the two-electron system is then reduced to a set of close-coupled partial differential equations for the four-dimensional expansion functions in (r{sub 1},{theta}{sub 1},r{sub 2},{theta}{sub 2}) center-of-mass spherical polar coordinates. The nonperturbative close-coupling results are found to be over a factor of 2 lower than perturbative distorted-wave results, but in excellent agreement with experimental measurements, at incident electron energies near the peak of the total integrated cross section.The high precision relativistic and radiative corrections to the energy of the excited 3 {sup 1}S state of the beryllium atom are obtained. The nonrelativistic wave function, expanded in a basis of exponentially correlated Gaussian functions, yields the lowest upper bounds to the energy of 2 {sup 1}S and 3 {sup 1}S states. By means of the integral representation, a reference-quality Bethe logarithm has been obtained. The resulting theoretical 2 {sup 1}S-3 {sup 1}S transition energy amounts to 54 677.78(45) cm{sup -1} and differs from the known experimental value by about 0.5 cm{sup -1}.Nonlinear optical quantum gates can be created probabilistically using only single-photon sources, linear optical elements, and photon-number-resolving detectors. These gates are heralded but operate with probabilities much less than 1. There is currently a large gap between the performance of the known circuits and the established upper bounds on their success probabilities. One possibility for increasing the probability of success of such gates is feed-forward, where one attempts to correct certain failure events that occurred in the gates operation. In this Brief Report we examine the role of feed-forward in improving the success probability. In particular, for the nonlinear sign-shift gate, we find that in a three-mode implementation with a single round of feed-forward the optimal average probability of success is approximately given by p{sub success}=0.272. This value is only slightly larger than the general optimal success probability without feed-forward, p{sub success}=0.25.We investigate the relation between the thermalization cross section {sub T} and the scattering length a of spin-polarized metastable neon (Ne{sup *}) in the Doppler-limited temperature regime. We show that a temperature-dependent, quantum-mechanical, five-channel calculation allows one to obtain a consistent with the mass scaling rule between {sup 20}Ne{sup *} and {sup 22}Ne{sup *} from recent data of {sub T} by Spoden et al. [Phys. Rev. Lett. 94, 223201 (2005)]. We find a=+24{sub -5}{sup +5}a{sub 0} or a=-128{sub -22}{sup +16}a{sub 0} for {sup 20}Ne{sup *} and +115 < or approx. a < or approx. +160a{sub 0} for {sup 22}Ne{sup *}, respectively. According to numerical simulations of the evaporative cooling process, these values of a are not large enough to make Bose-Einstein condensation of Ne{sup *} feasible for realistic experimental conditions, given the measured ionization rate constants.We report a new measurement of the photoionization cross section for the (2p){sup 5}(3p) {sup 3}D{sub 3} state of neon at the wavelengths of 351 and 364 nm. These data were obtained by monitoring the decay of the fluorescence of atoms trapped in a magneto-optical atom trap under the presence of a photoionizing laser, a technique developed by Dinneen et al. [Opt. Lett. 17, 1706 (1992)]. We obtain absolute photoionization cross sections of 2.05{+-}0.25x10{sup -18} cm{sup 2} at {lambda}=351 nm and 2.15{+-}0.25x10{sup -18} cm{sup 2} at {lambda}=364 nm, an improvement in accuracy of a factor of 4 over previously published values. These new values are not consistent with published theoretical data.We present a theoretical investigation on the open-aperture Gaussian-beam Z-scan technique for two dominant saturable absorption models, by using the Adomian decomposition method. Analytic expressions of the Z-scan traces are deduced for a cw laser and a pulsed laser, respectively; in particular, for performable simulations, the optimal sum upper limit is found. We give an experimental demonstration, in which a side-chain azobenzene polymer poly [6-[1-(4-(4-nitrophenylazo)phenyl) piperazine] hexyl methacrylate] (Pda) film behaves as a test sample. The results manifest that our theory is reasonable and the Pda film is a good saturable absorber at the wavelength of 532 nm.The time-dependent Schroedinger equation is solved numerically to investigate laser-assisted charge transfer in He{sup 2+}+H+nh{nu} collisions at 1 keV in the semiclassical impact parameter approach. Laser polarizations parallel and perpendicular to the projectile trajectory are studied. For both polarizations even a moderately intense laser (I{sub 0}=3.5x10{sup 12} W/cm{sup 2}) significantly increases the reaction probability. In addition, we find that the relative collision-laser phase has little influence on the charge transfer. We focus on parameters more favorable to experiment.We describe a quantum algorithm to prepare an arbitrary pure state of a register of a quantum computer with fidelity arbitrarily close to 1. Our algorithm is based on Grovers quantum search algorithm. For sequences of states with suitably bounded amplitudes, the algorithm requires resources that are polynomial in the number of qubits. Such sequences of states occur naturally in the problem of encoding a classical probability distribution in a quantum register.The {sup 1,3}P{sup o} resonance states of positronium negative ions embedded in dense plasma environments are determined by calculating the density of resonance states using the stabilization method. A screened Coulomb potential obtained from the Debye model is used to represent the interaction between the charge particles, together with employing highly correlated wave functions to represent the correlation effect between them. We have calculated one {sup 1}P{sup o} and two {sup 3}P{sup o} resonances associated with and below the n=2 threshold of the positronium atom. The resonance energies and widths for various Debye lengths ranging from infinity to a small value are reported.The phenomenon of Coulomb explosion is studied through qualitative numerical simulations of clusters irradiated with intense ultrashort laser pulses. We introduce a semiquantum approach which allows us to model two different types of materials--akin to rare gases and dielectrics--and which is appropriate for both low- and high-energy domains, i.e., the thermodynamic regime and the Coulomb explosion regime. Through a detailed study of clusters submitted to laser pulses of various intensities, we demonstrate that Coulomb explosion is the process responsible for cluster explosion under femtosecond laser pulses. We examine the differences in the dynamics of explosion of rare-gas clusters as a function of the wavelength of the incident laser radiation. For dielectric clusters, our simulations reveal a fragmented explosion mechanism; the influence of the size of the cluster is also studied.We propose a scheme for squeezing vibrational wave packets in the ground (or excited) states of diatomic molecules that uses pulse sequences of strong nonresonant short pulses. The physical mechanism of the scheme is a two step process involving adiabatic and diabatic transformations of the wave packet. The first step is the adiabatic stretching of the wave packet on a light-induced potential, and the second step is dynamic squeezing by free evolution after ultrashort (i.e., diabatic) population transfer. We show that this sequence of transformations can be performed very efficiently with a simple two pulse sequence with slow switch on and fast switch off pulse shapes, and we analyze the required physical resources that are needed. We test the scheme on a model of harmonic oscillators and on the Rb{sub 2} dimer. Finally, different possible generalizations are proposed.We show that the Comment by Diener and Ho [Phys. Rev. A 73, 017601 (2006)] is based on the misunderstanding that the Hamiltonian used by Dickerscheid et al. to describe Feshbach resonances in an optical lattice is a microscopic Hamiltonian as opposed to an effective Hamiltonian.We study nonclassical polarization states characterized by polarization distributions taking negative values. We consider two different families of polarization distributions that include polarization analogs of the Wigner function. We apply different measures of nonclassical behavior such as the nonclassical depth and the distance of the polarization distribution to its modulus. This approach is applied to relevant quantum field states such as one-photon states, SU(2) coherent states, quadrature coherent states, and twin number states. We examine observables allowing the detection of the negativity of the polarization distributions.Carbon and oxygen dimers with charge states 1+ and 3+ were implanted into GaAs along the [100] direction at an energy of 0.5 MeV/atom. The defect depth profiles are extracted from Rutherford backscattering spectrometry and channeling. The depth profile of carbon is extracted from secondary ion mass spectrometry measurements. The defect density produced by dimer ions is larger than monomer ions. The depth profile of carbon in dimer implanted GaAs is deeper than that of monomer implanted GaAs showing negative molecular effect. The defect depth profile of oxygen dimer implanted GaAs is deeper for 3+ than that for 1+ charge state. This indicates that energy loss of O{sub 2}{sup 3+} is smaller than that of O{sub 2}{sup +}. It is attributed to charge asymmetry and a higher degree of alignment of O{sub 2}{sup 3+} along the [100] axis of GaAs.Quantum phases of hard core bosons (HCBs) confined in a one-dimensional quasiperiodic (QP) potential are studied within the theoretical framework of Hanbury-Brown-Twiss interferometry. The QP potential induces a cascade of Mott-like band-insulator phases in the extended regime, in addition to the Mott insulator, Bose glass, and superfluid phases. The new phases are incompressible and have zero superfluid fraction. At critical filling factors, the appearance of these insulating phases is heralded by a peak to dip transition in the interferogram, which reflects the fermionic aspect of HCBs. In the localized phase, the interference pattern exhibits an hierarchy of peaks at the reciprocal lattice vectors of the system. Our study demonstrates that in contrast to the momentum distribution, HBTI provides an effective method to distinguish Mott and glassy phases.The double autoionization rate for the He{sup -}(2s{sup 2}2p {sup 2}P) hollow atom state is calculated using a nonperturbative time-dependent close-coupling method. The nine-dimensional wave function for the three electron atom is expanded in coupled spherical harmonics. The time-dependent Schroedinger equation is then reduced to a set of close-coupled partial differential equations for the three-dimensional radial expansion functions. Relaxation in imaginary time subject to orthogonality constraints yields a 2s{sup 2}2p {sup 2}P hollow atom state with real energy, while propagation in real time yields total and double Auger rates. The total Auger rate is in reasonable agreement with previous saddle-point complex-rotation calculations. The double Auger rate is found to be 10% of the total Auger rate, in keeping with the relatively large double to total ratio found in recent experiments for He{sup -}(2s2p{sup 2} {sup 4}P)Electron impact ionization cross sections (EIICS) of 30 L-shell targets, with open- and closed-shell configurations in the isoelectronic sequences ranging from Li to Ne, are evaluated using the generalized parameters of our recent modification of BELL formula (MBELL) [Haque et al., Phys. Rev. A 73, 012708 (2006)]. Three sets of parameters, one each for the 1s, 2s, and 2p orbits, provide an excellent account of the experimental EIICS data of atomic targets, neutral and ionic, up to the atomic number Z=92 and incident energies up to about 250 MeV. In comparison with the quantum mechanical predictions, it is found that the present MBELL cross sections are in better agreement with the experimental results.Absolute photoionization cross-section measurements for a mixture of ground and metastable states of Xe{sup 4+}, Xe{sup 5+}, and Xe{sup 6+} are reported in the photon energy range of 4d{yields}nf transitions, which occur within or adjacent to the 13.5 nm window for extreme ultraviolet lithography light source development. The reported values allow the quantification of opacity effects in xenon plasmas due to these 4d{yields}nf autoionizing states. The oscillator strengths for the 4d{yields}4f and 4d{yields}5f transitions in Xe{sup q+} (q=1-6) ions are calculated using nonrelativistic Hartree-Fock and random phase approximations. These are compared with published experimental values for Xe{sup +} to Xe{sup 3+} and with the values obtained from the present experimental cross-section measurements for Xe{sup 4+} to Xe{sup 6+}. The calculations assisted in the determination of the metastable content in the ion beams for Xe{sup 5+} and Xe{sup 6+}. The experiments were performed by merging a synchrotron photon beam generated by an undulator beamline of the Advanced Light Source with an ion beam produced by an electron cyclotron resonance ion source.We analyze an example of a photon in a superposition of different modes, and ask what is the degree of their entanglement with a vacuum. The problem turns out to be ill-posed since we do not know which representation of the algebra of canonical commutation relations (CCR) to choose for the field quantization. Once we make a choice, we can solve the question of entanglement unambiguously. So the difficulty is not with mathematics, but with physics of the problem. In order to make the discussion explicit we analyze from this perspective a popular argument based on a photon leaving a beam splitter and interacting with two two-level atoms. We first solve the problem algebraically in the Heisenberg picture, without any assumption about the form of representation of CCR. Then we take the {infinity}-representation and show in two ways that in two-mode states the modes are maximally entangled with the vacuum, but single-mode states are not entangled. Next we repeat the analysis in terms of the representation of CCR taken from Berezins book and show that two-mode states do not involve the mode-vacuum entanglement. Finally, we switch to a family of reducible representations of CCR recently investigated in the context ofmorexa0» field quantization, and show that the entanglement with the vacuum is present even for single-mode states. Still, the degree of entanglement here is difficult to estimate, mainly because there are N+2 subsystems, with N unspecified and large.«xa0lessConventional quantum key distribution (QKD) protocols include a basis selection process for providing a secure secret key. In contrast, this paper proposes an entanglement-based QKD with no basis selection procedure. Entangled-photon pulse trains with an average photon number less than one per pulse are sent to two legitimate parties, from which a secret key is created utilizing the entanglement nature. Eavesdropping on a transmission line is prevented by a condition of less than one photon per pulse, and sending classically correlated coherent pulses instead of quantum correlated ones is revealed by monitoring coincident count rate000.Relativistic positronium (Ps) is of potential use to address fundamental questions in QED - e.g., through direct lifetime measurements of the para state of Ps, severe magnetic quenching of the ortho-Ps lifetime, so-called superpenetration, and possibly to measure Ps-atom cross sections. Existing schemes for the production of relativistic positronium have relied on pion production through, e.g., nuclear interactions. This yields a low-intensity beam with relatively poor characteristics in both longitudinal and transverse emittance. By use of positrons impinging on a thin carbon foil inside a high-frequency rf cavity, it is proposed to generate relativistic positronium ions (Ps{sup -}) by rapid acceleration. Relativistic Ps can be derived from the positronium negative ion by subsequent Lorentz stripping or photodetachment. Intensities of the order 100 per second and Lorentz factors {approx_equal}20 are feasible with present technology.Second-harmonic generation is studied for the case where the fundamental field is light produced in a spontaneous parametric down-conversion process. We show that second-harmonic generation is sensitive to the transverse correlations between signal and idler fields. In particular, when the fundamental is prepared in a state exhibitting spatial antibunching, the second-harmonic intensity may be zero, independent of the intensity of the fundamental field.Multielectron processes have been studied by measuring the Na{sup 2+} and Na{sup 3+} recoil momenta resulting from 10 keV/amu He{sup 2+}+Na(3s) collisions. The Na{sup 2+} Q-value spectrum shows that transfer ionization dominates two-electron removal. Double capture populates mostly singly excited He(1snl) states. A smaller fraction of double capture leads to doubly excited He. Na{sup 3+} recoil ions are created by double capture into the He ground state and the emission of a third electron into the continuum. The Na{sup 3+} recoil ion is not left in its triplet ground state but in one of the low-lying excited singlet terms due to spin conservation.We have determined the lifetime of the Li-like {sub 22}{sup 48}Ti 1s2s2p {sup 4}P{sub 5/2}{sup o} level (210.5{+-}13.5 ps) using data from its x-ray decay channel through beam single- and two-foil experiments, coupled to a multicomponent iterative growth and decay analysis. Theoretical lifetime estimates for this zero-nuclear-spin ion lies within the uncertainty range of our experimental results, indicating that blending contributions to this level from the He-like 1s2p {sup 3}P{sub 2}{sup o} and 1s2s {sup 3}S{sub 1} levels are eliminated within the current approach. A previously reported discrepancy between experimental and theoretical 1s2s2p {sup 4}P{sub 5/2}{sup o} level lifetimes in {sub 23}{sup 51}V may, as a result, be attributed to hyperfine quenching.The M-shell ionization in high-Z atoms by low-energy light {sub 1}{sup 1}H, {sub 1}{sup 2}H, {sub 2}{sup 3}He, and {sub 2}{sup 4}He ions have been studied systematically in the energy range 0.1-1.0 MeV/amu in order to verify the available theoretical approaches describing the M-shell ionization by charged particles in asymmetric collisions. The present low-energy data, combined with our earlier results reported for M-shell ionization by hydrogen and helium ions for higher energies, form a systematic experimental basis to test the theoretical predictions of M-shell ionization based on the plane-wave Born approximation (PWBA), the semiclassical approximation (SCA), and the binary-encounter approximation (BEA). In the PWBA based approaches the energy loss (E), Coulomb deflection (C), perturbed stationary state (PSS), and relativistic (R) effects were considered within the ECPSSR theory and its recent modification, called the ECUSAR theory, in which a description of the PSS effect was corrected to account for the united- and separated-atom (USA) electron binding energy limits. In the SCA calculations with relativistic wave functions the binding effect was included only in the limiting cases of separated-atom and united-atom limits. Possible contribution of the electron capture, multiple ionization, and recoil ionization to the M-shell vacancy production, which is dominated formorexa0» light ions impact by direct single ionization process, are also discussed. The universal scaling of measured M-shell x-ray production and ionization cross sections was investigated in detail. Using the present data the isotopic effect has been studied by comparing the measured M-shell ionization cross-section ratios for equal-velocity hydrogen {sub 1}{sup 1}H and {sub 1}{sup 2}H as well as helium {sub 2}{sup 3}He and {sub 2}{sup 4}He isotopes. In addition, the ratios of measured ionization cross sections for {sub 1}{sup 2}H and {sub 2}{sup 4}He were used to investigate the role of the binding effect. The present results are of practical importance for the application of particle-induced x-ray emission technique in trace element studies.«xa0lessOrientation effects for electron transfer in keV He{sup 2+}-H{sub 2}{sup +} collisions are calculated based on a semiclassical close coupling model which accurately describes the electronic dynamics. When direct processes dominate it is shown that a configuration where the molecule is perpendicular to the ion momentum is always most favorable. At lower collision energies, rotational couplings and important contributions from low impact parameters can lead to dominant capture cross sections from molecular target aligned parallel with the collision beam.We formulate an expression for the accessible information in mirror-symmetric ensembles of real qubit states. This expression is used to make a detailed study of optimum quantum measurements for extracting the accessible information in three-state, mirror-symmetric ensembles. Distinct measurement regimes are identified for these ensembles with optimal measurement strategies involving different numbers of measurement operators, similar to results found for minimum error discrimination. Our results generalize known results for the accessible information in two pure states and in the trine ensemble.We propose a method to control population transfer and coherence in a multimode system using a transform-limited pump and a linearly chirped Stokes pulse in stimulated Raman scattering. Simultaneously applied pump and Stokes pulse are shown to induce the ac Stark shifts that result in nonadiabatic coupling of the dressed states, through which the pulse chirp governs population distribution. The method may be applied to selectively excite Raman transitions having the frequency difference less than the bandwidth of a transform-limited pulse.We investigate the properties of the vortex-antivortex superposed state for a Bose-Einstein condensate confined in a harmonic potential. The density distribution of the vortex-antivortex superposed state has a petal structure which is determined by the quantum circulations and proportion of the vortex and antivortex. Based on the Gross-Pitaevskii equation, we show that this vortex-antivortex superposed state can be stable through both analytical derivation and numerical calculations. Furthermore, we propose a feasible scheme to generate a coherently superposed vortex-antivortex state with arbitrary proportion by compressing and rehabilitating the harmonic trap with specific time order, which is proven by numerical simulations.High resolution laser spectroscopy of the 6s {sup 2}S{sub 1/2}{yields}6p {sup 2}P{sub 1/2} transition (D{sub 1} line) in neutral {sup 133}Cs is performed in a highly collimated thermal atomic beam by use of a femtosecond laser frequency comb and narrow-linewidth diode laser. The diode laser is offset locked to a single frequency component of the femtosecond laser frequency comb and probes the optical transitions between selected pairs of ground-state and excited-state hyperfine components. A photodiode detects the excited-state decay fluorescence, and a computerized data acquisition system records the signal. The Doppler shift is eliminated by orienting the laser beam in a direction perpendicular to the atomic beam to within a precision of 5x10{sup -6} rad. Optical frequencies for all four pairs of hyperfine components are measured independently, from which the D{sub 1} line centroid and excited-state hyperfine splitting are obtained by least-squares minimization with the ground-state splitting as a fixed constraint. We find the D{sub 1} line centroid to be f{sub D{sub 1}}=335 116 048 748.1(2.4) kHz, and the 6p {sup 2}P{sub 1/2} state hyperfine splitting to be 1 167 723.6(4.8) kHz. These results, in combination with the results of an atom interferometry experiment by Wicht et al. [Phys. Scriptamorexa0» T 102, 82 (2002)], are used to calculate a new value for the fine-structure constant.«xa0lessThe electric-field-dependent g factor of the ground state of {sup 2}{pi}{sub 1/2} molecules is predicted cross zero at a specific value of electric field. Furthermore, Edg/dE evaluated at this field is expected to be small, allowing for extremely precise zeroing of the molecular magnetic moment. For the PbF molecule, we estimate this field to be 68 kV/cm. If this prediction is correct, PbF could provide a uniquely sensitive probe of the electric dipole moment of the electron.The lifetimes of three isotopologs of the molecular hydrogen anion have been measured using an electrostatic ion-beam trap. Much longer lifetimes (up to {approx}2 ms for D{sub 2}{sup -}) than predicted by the most recent calculation are found, and it is proposed that more than one electronic state contributes to the overall lifetimes of these species.We have measured the absolute energy-averaged cross section for the electron impact excitation of C{sup 2+}(2s2p {sup 3}P{sup o}{yields}2p{sup 2} {sup 3}P) from energies below threshold to 17 eV above, and present the measured absolute rate coefficients for this transition, for temperatures from 10{sup 4} to 10{sup 5} K. These rate coefficients are required for diagnostics of plasmas such as those found in astrophysical environments. The synchronous photon detection method with beams modulation and inclined electron and ion beams was used. Radiation at 117.6 nm from the decay of the excited ions back to the metastable state was detected using an absolutely calibrated optical system. The fractional population of metastable C{sup 2+}(2s2p {sup 3}P{sup o}) in the incident ion beam was determined to be 0.42{+-}0.03(1.65 {sigma}). The rate coefficient for log{sub 10} T=4.8 was determined to be 1.01x10{sup -8} cm{sup 3} s{sup -1}{+-}14% at a 90% confidence (1.65 {sigma}) level. The measured cross section is in agreement within experimental uncertainty with 6-term close-coupling R-matrix calculations and 90-term R matrix with pseudostates calculations.In a Bose-Einstein condensate of {sup 87}Rb (F=2,m{sub F}=2) atoms we have topologically created a quantized vortex with a charge of 4 by reversing the magnetic field of the trap. Experimental conditions of reversal time and initial magnetic field strength for the successful vortex creation were restricted within narrower ranges, compared to those in the case of the {sup 23}Na condensate. The experimental difficulty was explained in terms of a non-negligible gravitational sag arising from its large atomic mass. We have successfully stabilized the vortex formation by compensating gravity with a blue-detuned laser beam.In this study we evaluate the cross section for forming the nonrelativistically bound state of a positron with the helium triplet atom by radiative attachment. Although this cross-section was expected to be small compared with a competing rearrangement process involving positronium and ground-state helium, this calculation is a first step which should be useful for experimental production of this interesting system.We analyze coherence effects during the splitting of a quasi one-dimensional condensate into two spatially separated ones and their subsequent merging into a single condensate. Our analysis takes into account finite-temperature effects, where phase fluctuations play an important role. We show that, at zero temperature, the two split condensates can be merged into a single one with a negligible phase difference. By increasing the temperature to a finite value below the critical point for condensation (T{sub c}), i.e., 0{<=}T/T{sub c}<1, a considerable enhancement of phase and density fluctuations appears during the process of splitting and merging. Our results show that if the process of splitting and merging is sufficiently adiabatic, the whole process is quite insensitive to phase fluctuations and even at high temperatures, a single condensate can be produced.A simple scheme is proposed to generate an n-qubit W state in cavity QED. Conditioned on no photon leakage from the cavity, the n-qubit W state can be generated by resonant interaction between atoms and the cavity if the cavity is initially prepared in the single-photon state and all the atoms are in the ground states. We check the time evolution of the system involving decay, and show that, since the required interaction time is very short, with present cavity QED techniques, the success probability of our scheme is almost unity.A numerical investigation of the doubly excited states of H{sub 2} converging to the H(n=2)+H(n{sup }=2) limit was performed. Special emphasis was put on the accurate description of the range of intermediate internuclear distances in order to correctly connect the short range with the asymptotic van der Waals regime where perturbation theory is applicable. The present nonperturbative calculation extends to internuclear separations R=200a{sub 0} and is sufficiently accurate to achieve a connection between the two extreme regimes without any need for an interpolation procedure. The high precision of the ab initio results revealed a long range dipole-quadrupole interaction that had been omitted in two earlier calculations. In addition to revised first-order perturbation theory results the leading second-order term varying as R{sup -6} was obtained. The impact of the present findings for cold H(n=2) collisions is briefly discussed.We consider the development of pairing in an ideal Fermi gas in the presence of a time-dependent BCS interaction. The pairing amplitude time evolution is controlled by the interplay of linear instability of the unpaired state and nonlinear interactions which limit the growth. This results in oscillatory time dependence with predictable characteristics, selecting periodic soliton trains of a specific form, described by a Jacobi elliptic function. While the parameters of the soliton train, such as the period, amplitude, and time lag, fluctuate among different realizations, the elliptic function form remains robust. The parameter fluctuations are accounted for by the randomness of particle distribution in the initial unpaired state.We present a theoretical treatment of the surprisingly large damping observed recently in one-dimensional Bose-Einstein atomic condensates in optical lattices. We show that time-dependent Hartree-Fock-Bogoliubov (HFB) calculations can describe qualitatively the main features of the damping observed over a range of lattice depths. We also derive a formula of the fluctuation-dissipation type for the damping, based on a picture in which the coherent motion of the condensate atoms is disrupted as they try to flow through the random local potential created by the irregular motion of noncondensate atoms. When parameters for the characteristic strength and correlation times of the fluctuations, obtained from the HFB calculations, are substituted in the damping formula, we find very good agreement with the experimentally observed damping, as long as the lattice is shallow enough for the fraction of atoms in the Mott insulator phase to be negligible. We also include, for completeness, the results of other calculations based on the Gutzwiller ansatz, which appear to work better for the deeper lattices.The angular dependence of dissociative electron attachment (DEA) to polyatomic targets is formulated in the local complex potential model, under the assumption that the axial recoil approximation describes the dissociation dynamics. An additional approximation, which is found to be valid in the case of H{sub 2}O but not in the case of H{sub 2}S, makes it possible to describe the angular dependence of DEA solely from an analysis of the fixed-nuclei entrance amplitude, without carrying out nuclear dynamics calculations. For H{sub 2}S, the final-vibrational-state-specific angular dependence of DEA is obtained by incorporating the variation of the angular dependence of the entrance amplitude with nuclear geometry into the nuclear dynamics. Scattering calculations using the complex Kohn method and, for H{sub 2}S, full quantum calculations of the nuclear dynamics using the multiconfiguration time-dependent Hartree method, are performed.We introduce a family of linear maps which are positive but not completely positive. We exhibit examples of nondecomposable maps and 2{sup N}x2{sup N}, N{>=}2, bound entangled states - e.g., nondistillable bipartite states of N+N qubits. Such states, as the standard Bell diagonal states, are diagonal in a maximally entangled basis and, apart remaining positive under partial transposition, are not detected by the realignment criterion.We have used an electron beam ion trap to observe a visible line at 598.30(13) nm that corresponds to the 4d{sup 9} {sup 2}D{sub 3/2}-4d{sup 9} {sup 2}D{sub 5/2} magnetic dipole transition within the ground state configuration of Xe{sup 9+}. We have found no evidence to support the claim by others that a line near this position originates from Xe{sup 31+}. The comparison of the measured wavelength with previous indirect experimental values, and the dependence of the line intensity on the electron beam energy, confirms the validity of the present identification. Our measured wavelength is in agreement with semiempirical Hartree-Fock calculations but shows a discrepancy with ab initio multiconfiguration Dirac-Fock calculations. We propose that the line may be useful as a diagnostic for extreme ultraviolet lithography light sources.We show that the complex scaling method for resonances is equivalent to carrying out a gedanken experiment, where particles are scattered by a target with the incoming flux not being constant as usual but exponentially reduced in time at the rate {gamma}. Resonances are examined at discrete energy levels, while a counterintuitive reverse dynamical control is demonstrated off these levels for {gamma} greater than the resonance decay rate {gamma}{sub r}.In this paper we describe an application of fermion molecular dynamics to the simulation of the behavior of H{sub 2}{sup +} and H{sub 2} immersed in a strong laser field. The laser field consists of a single short pulse of linearly polarized long wavelength radiation; viz., t{sub pulse}{approx}100 fs, {lambda}=758 nm, and 10{sup 13}{<=}I{sub 0}<10{sup 14} W/cm{sup 2}. Results are compared with data from recent laboratory measurements.Using the known perturbation series for the idempotent Dirac density matrix in powers of a given one-body potential V(r), Stoddart and March (SM) generated a corresponding series for the kinetic energy density. While the general term of the SM series is known, a summation has not been achieved to date. A contribution to solve this problem is made here by exhibiting an explicit form of the above kinetic energy density for Fermions filling an arbitrary number of closed shells, when the confinement is harmonic. This example is of considerable current interest because of ongoing experiments on ultracold atomic gases of Fermions.We study the differences between the processes of decoherence induced by chaotic and regular environments. For this we analyze a family of simple models that contain both regular and chaotic environments. In all cases the system of interest is a quantum walker, i.e., a quantum particle that can move on a lattice with a finite number of sites. The walker interacts with an environment which has a D-dimensional Hilbert space. The results we obtain suggest that regular and chaotic environments are not distinguishable from each other in a (short) time scale t*, which scales with the dimensionality of the environment as t*{proportional_to}log{sub 2}(D). However, chaotic environments continue to be effective over exponentially longer time scales while regular environments tend to reach saturation much sooner. We present both numerical and analytical results supporting this conclusion. The family of chaotic evolutions we consider includes the so-called quantum multibaker map as a particular case.A modified version of the Moeller-Plesset approach for obtaining the correlation energy associated with a Hartree-Fock ground state is proposed. The method is tested in a model of interacting fermions that allows for an exact solution. Using up to third order terms improved results are obtained, even in the limit of loosely bound particles. Tested in molecules as well, the modified method appears to give improved results in symmetric systems.We investigate quantum properties of phase-locked light beams generated in a nondegenerate optical parametric oscillator (NOPO) with an intracavity waveplate. This investigation continues our previous analysis presented in Phys. Rev. A 69, 053814 (2004), and involves problems of continuous-variable quadrature entanglement in the spectral domain, photon-number correlations as well as the signatures of phase-locking in the Wigner function. We study the role of phase-localizing processes on the quantum correlation effects. The peculiarities of phase-locked NOPO in the self-pulsing instability operational regime are also cleared up. The results are obtained in the P-representation as a quantum-mechanical calculation in the framework of stochastic equations of motion, as well as by numerical simulation based on the method of quantum state diffusion.The best three-channel projectile-inelastic close-coupling approximation (CCA) is used to study the resonances in positronium (Ps) and hydrogen (H) scattering at the energy region below the inelastic threshold. The s-wave elastic phase shifts and s-wave elastic cross sections are studied using the static-exchange, two- and three-channel projectile-inelastic CCA for both the singlet (+) and triplet (-) channels. The singlet resonances detected using different CCA schemes confirm previous predictions [Drachman and Houston, Phys. Rev. A 12, 885 (1975); Page, J. Phys. B. 9, 1111 (1976)]. We report a resonance in the triplet channel too using the present three-channel CCA scheme.Results of a theoretical study of photoionization cross sections and photoelectron angular asymmetry parameters of atoms confined by positively C{sub 60}{sup +z} or negatively C{sub 60}{sup -z} charged fullerene shells are presented. For negatively charged C{sub 60}, entirely new confinement resonances, termed Coulomb confinement resonances, that dominate the spectra of the encapsulated atoms are predicted. In addition, the effect of a negative C{sub 60} shell is to move some of the oscillator strength of the encapsulated atom from the discrete excitation region into the continuum. For positively charged C{sub 60}, the situation is much different; no Coulomb confinement resonances occur in the photoionization spectrum of the encapsulated atom, and charging the shell positively does nothing to the photoionization cross section (as a function of photon energy) except to increase the threshold energy. The findings result from model Hartree-Fock calculations of 1s photoionization of Ne confined by neutral, negative, and positive C{sub 60}.A new nuclear quadrupole moment, Q=0.305(2) b, of {sup 87}Sr is determined by combining precise measurement of the electric quadrupole hyperfine structure constant of the 4d {sup 2}D{sub 5/2} state of its ion with calculation. This is a significant improvement over the previous values 0.335(20), 0.327(24), and 0.323(20) b. Relativistic coupled-cluster theory is employed in the calculations and electron correlation effects are included using the single, double, and an important subset of triple excitations. The magnetic dipole and electric quadrupole hyperfine structure constants of a few low-lying states are calculated to a high accuracy. The role of different electron correlation effects in the 4d {sup 2}D{sub 5/2} state is investigated.Within the context of quantum teleportation, a proposed interpretation of bipartite entanglement describes teleportation as consisting of a qubit of information evolving along and against the flow of time of an external observer. We investigate the physicality of such a model by applying time reversal to the Schroedinger equation in the teleportation context. To do so, we first present the theory of time reversal applied to the circuit model. We then show that the outcome of a teleportationlike circuit is consistent with the usual tensor product treatment and is therefore independent of the physical quantum system used to encode the information. Finally, we illustrate these concepts with a proof-of-principle experiment on a liquid-state NMR quantum-information processor. The experimental results are consistent with the interpretation that information can be seen as flowing backward in time through entanglement.Absolute K-shell ionization and L{alpha} and L{beta}{sub 1} x-ray production cross sections for Ga and As have been measured for incident electrons in the energy range from 1.5 to 39 keV. The cross sections were deduced from K{alpha}, L{alpha}, and L{beta}{sub 1} x-ray intensities emitted from ultrathin GaAs samples deposited onto self-supporting carbon films. The x-ray intensities were measured on an electron microprobe equipped with several wavelength-dispersive spectrometers and were converted into absolute cross sections by using estimated values of the target thickness, spectrometer efficiency, and number of incident electrons. Experimental results are compared with cross sections calculated from the plane-wave and distorted-wave Born approximations, the relativistic binary-encounter-Bethe model, the results of two widely used simple analytical formulas, and, whenever possible, experimental data from the literature.Using the experimental data on the energy-level shift of kaonic hydrogen in the ground state [Beer et al., Phys. Rev. Lett. 94, 212302 (2005)] and the theoretical value of the energy-level shift, calculated within the phenomenological quantum field theoretic approach to the description of strong low-energy KN and KNN, interactions, we estimate the value of the {sigma}{sub KN}{sup (I=1)}(0) term of low-energy KN scattering. We get {sigma}{sub KN}{sup (I=1)}(0)=433{+-}132 MeV. This shows the absence of strange quarks in the proton structure.The nonrelativistic ground-state energy of {sup 4}HeH{sup +} is calculated using a variational method in Hylleraas coordinates. Convergence to a few parts in 10{sup 10} is achieved, which improves the best previous result of Pavanello et al. [J. Chem. Phys. 123, 104306 (2005)]. Expectation values of the interparticle distances are evaluated. Similar results for {sup 3}HeH{sup +} are also presented.

Light element opacities of astrophysical interest from ATOMIC

We present new calculations of local-thermodynamic-equilibrium (LTE) light element opacities from the Los Alamos ATOMIC code [1] for systems of astrophysical interest. ATOMIC is a multi-purpose code that can generate LTE or non-LTE quantities of interest at various levels of approximation. Our calculations, which include fine-structure detail, represent a systematic improvement over previous Los Alamos opacity calculations using the LEDCOP legacy code [2]. The ATOMIC code uses ab-initio atomic structure data computed from the CATS code, which is based on Cowans atomic structure codes [3], and photoionization cross section data computed from the Los Alamos ionization code GIPPER [4]. ATOMIC also incorporates a new equation-of-state (EOS) model based on the chemical picture [5]. ATOMIC incorporates some physics packages from LEDCOP and also includes additional physical processes, such as improved free-free cross sections and additional scattering mechanisms. Our new calculations are made for elements of astrophysical interest and for a wide range of temperatures and densities.We present new calculations of local-thermodynamic-equilibrium (LTE) light element opacities from the Los Alamos ATOMIC code [1] for systems of astrophysical interest. ATOMIC is a multi-purpose code that can generate LTE or non-LTE quantities of interest at various levels of approximation. Our calculations, which include fine-structure detail, represent a systematic improvement over previous Los Alamos opacity calculations using the LEDCOP legacy code [2]. The ATOMIC code uses ab-initio atomic structure data computed from the CATS code, which is based on Cowans atomic structure codes [3], and photoionization cross section data computed from the Los Alamos ionization code GIPPER [4]. ATOMIC also incorporates a new equation-of-state (EOS) model based on the chemical picture [5]. ATOMIC incorporates some physics packages from LEDCOP and also includes additional physical processes, such as improved free-free cross sections and additional scattering mechanisms. Our new calculations are made for elements of as...

NLTE Opacities of Mid‐ and High‐Z Cocktails

The mixing between fuel and shell materials in Inertial Confinement Fusion (lCF) implosion cores is a current topic of interest. The goal of this work was to design direct-drive ICF experiments which have varying levels of mix, and subsequently to extract information on mixing directly from the experimental data using spectroscopic techniques. The experimental design was accomplished using hydrodynamic simulations in conjunction with Haans saturation model, which was used to predict the mix levels of candidate experimental configurations. These theoretical predictions were then compared to the mixing information which was extracted from the experimental data, and it was found that Haans mix model predicted trends in the width of the mix layer as a function of initial shell thickness. These results contribute to an assessment of the range of validity and predictive capability of the Haan saturation model, as well as increasing confidence in the methods used to extract mixing information from experimental data.