Theoretical calculation of photoionization cross sections of B-like ions: N2+, O3+ and F4+

There can be found some notable discrepancies with regard to the resonance structures when R-matrix calculations from the Opacity Project and other sources are compared with recent absolute experimental measurements of Bizau et al [Astron. Astrophts. 439 387 (2005)] for B-like ions N2+, O3+ and F4+. We performed close-coupling calculations based on the R-matrix formalism for the photoionizations of ions mentioned above both for the ground states and first excited states in the near threshold regions. The present results are compared with experimental ones given by Bizau et al and earlier theoretical ones. Excellent agreement is obtained between our theoretical results and the experimental photoionization cross sections. The present calculations show a significant improvement over the previous theoretical results.

Development of external electron-beam enhancement of the Penning ionization gauge ion source

To study the injection of additional electrons from an external electron gun into the plasma of a Penning ionization gauge (PIG) ion source, a test bench for the external electron-beam enhancement of the PIG (E-PIG) ion source was set up. A source magnet assembly was built to satisfy the request for magnetic field configuration of the E-PIG ion source. Numerical calculations have been done to optimize the magnetic field configuration so as to fit the primary electrons to be fed into the PIG discharge chamber along the spreading magnetic field lines. Many possible methods for improving the performance and stability of the PIG ion source have been used in the E-PIG ion source, including the use of multicrystal LaB6 cathode and optimized axial magnetic field. This article presents a detailed design of the E-PIG ion source. Substantial enhancement of ion charge state is expected to be observed which demonstrates that the E-PIG is a viable alternative to other much more costly and difficult to operate devices for the production of intense ion beams of higher charge state.

Quantum-mechanical calculations of vibrationally resolved cross sections for non-dissociative charge transfer of O3+ with H-2

Charge transfer due to collisions of ground state O3+ (2s(2)2p P-2) ions with molecular hydrogen is investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method, and electronic and vibrational state-selective cross sections along with the corresponding differential cross sections are calculated for projectile energies of 100, 500, 1000 and 5000 eV/u at the orientation angles of 25 degrees,45 degrees and 89 degrees. The adiabatic potentials and radial coupling matrix elements utilized in the QMOCC calculations were obtained with the spin-coupled valence-bond approach. The infinite order sudden approximation (IOSA) and the vibrational sudden approximation (VSA) are utilized to deal with the rotation of H-2 and the coupling between the electron and the vibration of H-2. It is found that the distribution of vibrationally resolved cross sections with the vibrational quantum number upsilon' of H-2(+) (upsilon') varies with the increment of the projectile energy; and the electronic and vibrational stateselective differential cross sections show similar behaviors: there is a highest platform within a very small scattering angle, beyond which the differential cross sections decrease as the scattering angle increases and lots of oscillating structures appear, where the scattering angle of the first structure decreases as E-P(-1/2) with the increment of the projectile energy E-P; and the structure and amplitude of the differential cross sections are sensitive to the orientation of molecule H-2, which provides a possibility to identify the orientations of molecule H-2 by the vibrational state-selective differential scattering processes.

Time-dependent density-functional calculations for optical spectra of Na-2 and Na-4 clusters

With the frame of the time-dependent local density approximation, an efficient description of the optical response of clusters has been used to study the photo-absorption cross section of Na-2 and Na-4 clusters. It is shown that our calculated results are in good agreement with the experiment. In addition, our calculated spectrum for the Na-4 cluster is in better agreement with experiment than the GW absorption spectrum.

DBHF approach and thermodynamic consistency for nuclear matter calculations

Within the framework of Dirac Brueckner-Hartree-Fock (DBHF) approach, we calculate the energy per nucleon, the pressure, the nucleon self-energy, and the single-nucleon energy in the nuclear matter by adopting two different covariant representations for T-matrix. We mainly investigate the influence of different covariant representations on the satisfiable extent of the Hugenholtz-Van Hove (HVH) theorem in the nuclear medium in the framework of DBHF. By adopting the two different covariant representations of T-matrix, the predicted nucleon self-energy shows a quite different momentum and density dependence. Different covariant representations affect remarkably the satisfiable extent of the HVH theorem. By adopting the complete pseudo-vector representation of the T-matrix, HVH theorem is largely violated, which is in agreement with the result in the non-relativistic Brueckner-Hartree-Fock approach and reflects the importance of ground state correlations for single nucleon properties in nuclear medium, whereas by using the pseudoscalar representation, the ground state correlation cannot be shown. It indicates that the complete pseudo-vector presentation is more feasible than the pseudo-scalar one.

alpha decay half-lives of new superheavy nuclei within a generalized liquid drop model

The alpha decay half-lives of the recently produced isotopes of the 112, 114, 116 and 118 nuclei and decay products have been calculated in the quasi-molecular shape path using the experimental Q(alpha) value and a Generalized Liquid Drop Model including the proximity effects between nucleons in the neck or the gap between the nascent fragments. Reasonable estimates are obtained for the observed alpha decay half-lives. The results are compared with calculations using the Density-Dependent M3Y effective interaction and the Viola-Seaborg-Sobiczewski formulae. Generalized Liquid Drop Model predictions are provided for the alpha decay half-lives of other superheavy nuclei using the Finite Range Droplet Model Q(alpha) and compared with the values derived from the VSS formulae.

Importance of self-consistency in relativistic continuum random-phase approximation calculations

A fully consistent relativistic continuum random phase approximation (RCRPA) is constructed, where the contribution of the continuum spectrum to nuclear excitations is treated exactly by the single-particle Green's function technique. The full consistency of the calculations is achieved that the same effective Lagrangian is adopted for the ground state and the excited states. The negative energy states in the Dirac sea are also included in the single-particle Green's function in the no-sea approximation. The currents from the vector meson and photon exchanges and the Coulomb interaction in RCRPA are treated exactly. The spin-orbit interaction is included naturally in the relativistic frame. Numerical results of the RCRPA are checked with the constrained relativistic mean-field theory. We study the effects of the inconsistency, particularly the currents and Coulomb interaction in various collective multipole excitations.

Dynamics of pion production in heavy-ion collisions around 1A GeV energies

Within the framework of the improved isospin-dependent quantum molecular dynamics model, the dynamics of pion emission in heavy-ion collisions in the region of 1A GeV energies as a probe of nuclear symmetry energy at suprasaturation densities is investigated systematically. The total pion multiplicities and the pi(-)/pi(+) yields are calculated for selected Skyrme parameters SkP, SLy6, Ska, and SIII and also for the cases of different stiffness of symmetry energy with the parameter SLy6. The influence of Coulomb potential, symmetry energy, and in-medium pion potential on the pion production is investigated and compared to each other by analyzing the distributions of transverse momentum and longitudinal rapidity and also the excitation functions of the total pion and the pi(-)/pi(+) ratio. The directed flow, elliptic flow, and polar-angle distributions are calculated for the cases of different collision centralities and also the various stiffnesses of the symmetry energies. A comparison of the calculations with the available experimental data is performed.

Isospin-dependent pairing interaction from nuclear matter calculations

The isospin dependence of the effective pairing interaction is discussed on the basis of the Bardeen, Cooper, and Schrieffer theory of superfluid asymmetric nuclear matter. It is shown that the energy gap, calculated within the mean field approximation in the range from symmetric nuclear matter to pure neutron matter, is not linearly dependent on the symmetry parameter owing to the nonlinear structure of the gap equation. Moreover, the construction of a zero-range effective pairing interaction compatible with the neutron and proton gaps in homogeneous matter is investigated, along with some recent proposals of isospin dependence tested on the nuclear data table.

Medium-spin states in Ge-70 and the role of the g(9/2) orbital

Medium-spin states of Ge-70 have been studied via the Ni-60(C-12,2p gamma)Ge-70 reaction at 45 MeV. The ground-state band and the second 0(+) band have been extended to the 12(+) and 8(+) states, respectively. Two negative-parity bands, one of which has a coupled structure and the other has a decoupled structure, have been observed additionally. Although the latter decoupled structure was known up to the (21(-)) state from a previous experiment, the part of the level scheme up to the 15(-) state has been largely modified by the present experiment. Backbendings observed in the positive- and negative-parity yrast bands have been compared with those of the neighboring even Ge isotopes. The experimental level structure has been compared with the shell-model calculations in the model space (2p(3/2), 1f(5/2), 2(p1/2), 1g(9/2)) employing two kinds of effective interactions, one of which is an extended P + QQ interaction with monopole interactions and the other is developed from a renormalized G matrix. Microscopic structures of the observed bands have been discussed with the help of the shell-model calculations.

Theoretical study of the 4d photoabsorption of the Cs+ ion

Calculations of the 4d absolute photoabsorption cross sections of the Xe-like Cs+ ion covering the energy region from 80 to 190 eV have been performed by using the multi-configuration Dirac-Fock method. The calculated cross sections are compared with the absolute experimental photoabsorption cross-section spectrum (Kjeldsen et al 2002 J. Phys. B: At. Mol. Opt. Phys. 35 2845) and other available theoretical results. In the 80-90 eV region, the discrete structure resulting from photoexcitation of a 4d electron into nf and np orbits are successfully identified. Above the 4d threshold, i.e. in the 90-190 eV energy region, a reasonable agreement between experiment and computations is found for the intense 4d -> epsilon f shape resonance.

Two-electron-one-photon M1 and E2 transitions between the states of the 2p(3) and 2s(2)2p odd configurations for B-like ions with 18 <= Z <= 92

Two-electron-one-photon (TEOP) M1 and E2 transition energies, line strengths and transition probabilities between the states of the 2p(3) and 2s(2)2p odd configurations for B-like ions with 18 <= Z <= 92 have been calculated using the GRASP2K package based on the multiconfiguration Dirac-Hartree-Fock (MCDHF) method. Employing active-space techniques to expand the configuration list, we have systematically considered the valence, core-valence and core-core electron correlation effects. Breit interaction and quantum electrodynamical (QED) effects were also included to correct atomic state wavefunctions and the corresponding energies. Influences of electron correlation, Breit interaction and QED effects on transition energies and line strengths of the TEOP M1 and E2 transitions were analysed in detail. The present results were also compared with other theoretical and experimental values.

Rotamers of m-aminophenol cation studied by mass analyzed threshold ionization spectroscopy and theoretical calculations

The vibrationally resolved spectra of selected rotamers of m-aminophenol have been recorded by mass analyzed threshold ionization spectroscopy in connection with two-color resonant two-photon excitation scheme. The adiabatic ionization energies of the cis and trans rotamers are 61460 +/- 5 and 61734 +/- 5 cm(-1), respectively. The frequencies of modes 1 (breathing) and 18a (in-plane CH bending) are measured to be 744 and 1097 cm(-1) for the cis, and 736 and 1104 cm(-1) for the trans rotamer, respectively. This indicates that different orientation of the OH with respect to the NH2 substituent only slightly influences these two modes. (C) 2004 Elsevier B.V. All rights reserved.

The geometry of the NO2- anion: ab initio calculations and Franck-Condon analysis

Geometry optimization and harmonic vibrational frequency calculations have been performed on the (X) over bar (2)A(1) state of NO2 and (X) over bar (1)A(1) state of NO2-. Franck-Condon analyses and spectral simulations were carried out on the NO2((X) over bar (2)A(1))-NO2-((X) over bar (1)A(1)) photo detachment process. In addition, the equilibrium geometry parameters, r(NO)= 1.248 +/- 0.005 Angstrom and angle(ONO) 116.8 +/- 0.5degrees, of the (X) over bar (1)A(1) state of NO2-, are derived by employing an iterative Franck-Condon analysis procedure in the spectral simulation. Our conclusions regarding the anion geometry suggest a reinterpretation of the results of Woo et al. (C) 2004 Published by Elsevier B.V.