Molecular-orbital structure in neutron-rich Be and C isotopes

The structure of Be and C isotopes are investigated based on the molecular-orbit (MO) model. The low-lying states are characterized by several configurations of valence neutrons, which are constructed as combinations of basic orbits. In ¹⁰Be, all of the observed positive-parity bands and the negative-parity bands are described within the model. The second 0⁺ state of ¹⁰Be has a large α-α cluster structure, and this is characterized by a (1/2⁺ _σ)² configuration. An enlargement of the α-α distance due to two-valence neutrons along the α-α axis makes their wave function smooth and reduces the kinetic energy drastically. Furthermore, the contribution of the spin-orbit interaction due to coupling between the S _z = 0 and the S _z = 1 configurations, is important. In the ground state of ¹²Be, the calculated energy exhibits similar characteristics, that the remarkable α clustering and the contribution of the spin-orbit interaction make the binding of the state with (3/2^- _π)²(1/2⁺ _σ)² configuration properly stronger in comparison with the closed p-shell (3/2^- _π)²(1/2^- _π)² configuration. This is related to the breaking of the N = 8 (closed p-shell) neutron magic number. Also, the molecule-like structure of the C isotopes is investigated using a microscopic α+α+α+n+n+ ^{. . .} model. The combination of the valence neutrons in the π- and the σ-orbit is promising to stabilize the linear-chain state against the breathing and bending modes, and it is found that the excited states of ¹⁶C are the most promising candidates for such structure. Received: 1 May 2001 / Accepted: 4 December 2001     

Spin-polarized Dirac-Slater calculations on the energies of hollow argon atom

In this work, the multiplet splitting in terms of a spin-dependent model is analyzed. The spin-polarized and unpolarized single configuration Dirac-Fock-Slater wavefunctions have been used in the evaluation of the total energies of highly ionized argon with different L shell population The transition energies of hollow argon atom with initial configurations 1s ⁰ _1/22s ^m _1/22p ⁿ _1/22p ^l _3/2 with m = 0 to 2 and n + l varying from 6 to 1 are reported in this work. The calculations have been carried out by taking into account a relativistic exchange potential in the Dirac-Slater potential. To account for the correlation effects, a correction term has also been considered perturbatively. The present calculations show that the spin-polarized technique which is mainly applied to the ground states of atoms may also be applied to atoms ionized in the inner shells with a good degree of accuracy. Received 5 December 2000 and Received in final form 9 April 2001     

Numerical results for ground states of spin glasses on Bethe lattices

The average ground state energy and entropy for ±J spin glasses on Bethe lattices of connectivities k + 1 = 3..., 26 at T = 0 are approximated numerically. To obtain sufficient accuracy for large system sizes (up to n = 2¹²), the Extremal Optimization heuristic is employed which provides high-quality results not only for the ground state energies per spin e_k+1 but also for their entropies s_k+1. The results indicate sizable differences between lattices of even and odd connectivities. The extrapolated ground state energies compare very well with recent one-step replica symmetry breaking calculations. These energies can be scaled for all even connectivities k + 1 to within a fraction of a percent onto a simple functional form, e _{k + 1} = E _SK - (2E _SK + )/, where E _SK = - 0.7633 is the ground state energy for the broken replica symmetry in the Sherrington-Kirkpatrick model. But this form is in conflict with perturbative calculations at large k + 1, which do not distinguish between even and odd connectivities. We also find non-zero entropies per spin s_k+1 at small connectivities. While s_k+1 seems to vanish asymptotically with 1/(k + 1) for even connectivities, it is numerically indistinguishable from zero already for odd k + 1 ≥ 9. Received 9 August 2002 Published online 27 January 2003 RID="a" ID="a"e-mail: sboettc@emory.edu www.physics.emory.edu/faculty/boettcher     

Hyperfine-structure studies of the 1s<Superscript>2</Superscript>2snp (n=2, 3) <Superscript>3</Superscript>P states for the beryllium isoelectronic sequence

The hyperfine structure parameters of the 1s²2snp (n=2, 3) ³P states for the beryllium isoelectronic sequence from Z= 4 to 10 are calculated with the full-core plus correlation (FCPC) wave functions. For the 1s²2s2p ³P state of the beryllium atom, the calculated fine structure parameters are in good agreement with the latest theoretical and experimental data in the literature. It is shown that hyperfine constants of the low-lying excited states for the beryllium atom can be calculated accurately using this theoretical method. For 1s²2snp (n=2, 3) ³P states of the beryllium isoelectronic sequence, our predictions may provide valuable reference data for other theoretical calculations and experimental measurements in future.     

Molecular picture of excited states and fragmentation paths of the Na 5 F 4 cluster

The stability against fragmentation and possible relaxation of the lowest excited states of the Na₅F₄ cluster (representative of cubic non stoechiometric clusters with an excess sodium atom, also called sodium-tail) is investigated by means of one-electron pseudopotential calculations with particular reference to photoabsorption processes from the ground state. Whereas the equilibrium configuration of the ground state has C_3v symmetry, the doubly degenerate 1²E excited state is affected by a conical intersection and a Jahn-Teller effect associated with the rotation of the sodium tail around the C₃-axis. This yields a “Mexican hat" topology for the lowest sheet with three equivalent C_s minima. Alternatively the 2²A₁ state has a minimum retaining the C_3v symmetry. The dissociation paths of the cluster along the C₃-axis into respectively Na₄F_{4 +} Na and Na₄F_{3 +} NaF are also investigated. Among the former paths, the excited states are found adiabatically stable with respect to the products. However in the A₁ symmetry, fragmentation into NaF exhibits an interesting avoided crossing between configurations correlated respectively with Na₄F₃ ^{+ +} NaF^- and Na₄F_{3 +} NaF. Such interaction, similar to the well-known charge exchange processes in elementary molecules might induce non adiabatic predissociation of the 2²A₁ state. This mechanism is invoked to explain the differences between R2PI and depletion spectra, correlated with the dissociation or relaxation of the excited states. Received 24 March 2000 and Received in final form 11 July 2000     

Level lifetimes in 3p and 3d configurations of Fe XII

Transitions between the five fine-structure levels in the 3s ²3p ³ ground configuration of Fe XII (P-like) are of interest in astrophysics and terrestrial plasma diagnostics. The decay rates give rise to level lifetimes in the millisecond range, which have been measured recently at a heavy-ion storage ring. While most of the 3s ²3p ²3d levels are short-lived, two of these levels have no E1 decay channels and may also have millisecond lifetimes. We present HFR and MCDF calculations of the E1, M1, E2 and M2 transition rates between the 3s ²3p ³, 3s3p⁴ and 3s ²3p ²3d levels and compare the lifetime results to most recent experimental data as well as to other predictions. Received 2 October 2001 / Received in final form 22 January 2002 Published online 28 June 2002     

Single-particle quadrupole electromagnetic transitions in p-shell and sd-shell nuclei

Electron scattering Coulomb form factors for the single-particle quadrupole transitions in p-shell and sd-shell nuclei have been studied. Core polarization effects are included through a microscopic theory that includes excitations from the core orbits up to higher orbits with 2ω excitations. The modified surface delta interaction is adopted as a residual interaction. The results are discussed for the ( 1p _1/2 ^-1↦1p _3/2 ^-1) proton transition in ¹⁵N, ( 1d _5/2↦2s _1/2) neutron transition in ¹⁷O and ( 1d _3/2 ^-1↦2s _1/2 ^-1) proton transition in ³⁹K. The inclusion of core polarization effects modifies the form factors markedly and describes the experimental data very well in both the absolute strength and the momentum transfer dependence. Received: 18 April 2002 / Accepted: 1 July 2002 / Published online: 6 March 2003 RID="a" ID="a"e-mail: baguniv@uruklink.net Communicated by A. Molinari     

Spectroscopy of 112Pd using heavy-ion-induced fission

High-spin states in ¹¹²Pd were studied using prompt γ-ray spectroscopy with Gammasphere following heavy-ion-induced fission in the reaction ¹⁸O + ²⁰⁸Pb at 91 MeV. A new 8⁺ level at 2638 keV was discovered with transitions connecting it to the yrast band and the quasi-gamma band. The three, now established, closely spaced 8⁺ states indicate a mixing between the ground-state band, s-band, and quasi-gamma band. Several high-spin structures with likely negative parity have been extended to higher spin and it is proposed that they are based on the νh _11/2(g _7/2 d _5/2) and νh _11/2(s _1/2 d _3/2) configurations. Received: 28 November 2000 / Accepted: 8 February 2001     

Radiative lifetimes in Ce I and Ce II

New radiative lifetime measurements based on time-resolved laser-induced fluorescence techniques are reported for 18 even-parity levels belonging to the 4f5d^26p and 4f ²5d ² configurations of Ce I and 6 even-parity levels belonging to the 5d^26s, 4f5d6p, and 4f6s6p configurations of Ce II. Free neutral and singly ionized cerium atoms were produced by laser ablation. The Ce I and Ce II levels range in energy from 26 545 to 29 102 cm^-1, and 42 573 to 48 152 cm^-1, respectively. Received 25 September 2002 Published online 4 March 2003     

Additional symmetry for the electronic shell in its ground state and many-electron effects

The additional symmetry for the properties related to the ground state of the atom is considered taking into account many-electron effects. Calculations of the I _4f, I _3d,I _2p,I _3p binding energies, 4f ^N-15d - 4f^N system differences and 2p, 3p electron affinities in the second order of perturbation theory and in the configuration interaction approximation have been performed for the ground configurations with one open shell. The analysis of separate many-electron corrections for these quantities and their variation along the sequences of atoms and ions shows that the main corrections maintain the considered symmetry. Received 18 January 1999 and Received in final form 17 July 1999     

Ab initio calculation of excited state dipole polarizability - Application to the first 1, 3 Σ + g,u states of Li 2

Firstly, imaginary frequency-dependent dipole polarizabilities of Li in its ² S ground state and the first ² P excited state are calculated from a time-dependent gauge-invariant method using effective core pseudo-potentials and the multi-configuration one-electron wave function. C₆ dispersion coefficients of the 2 s + 2 s and 2 s + 2 p dissociations are deduced and also compared with all-electron values. Then, static polarizabilities of Li₂ in its ground and first excited ^{1, 3} Σ ⁺ _g,u states are obtained at interatomic distance corresponding to the energy minimum of each state. Received 10 May 2001 and Received in final form 14 September 2001     

Gamow-Teller transitions from 58Ni to discrete states of 58Cu

Under the assumption that isospin is a good quantum number, symmetry is expected for the transitions from the ground states of T = 1, T _z = ±1 nuclei to the common excited states of the T _z = 0 nucleus situated between the two nuclei. The symmetry can be studied by comparing the strengths of Gamow-Teller (GT) transitions obtained from a (p, n)-type charge-exchange reaction on a target nucleus with T _z = 1 with those from the β-decay of the T _z = - 1 nucleus. The A = 58 system is the heaviest for which such a comparison is possible. As a part of the symmetry study, we measured the GT transitions from ⁵⁸Ni (T _z = 1) to ⁵⁸Cu (T _z = 0) by using the zero-degree (³ He, t) reaction at 150 MeV/nucleon. With the achieved resolution of 50 keV, many hitherto unresolved GT states have been identified. The GT transition strengths were obtained for states up to 8 MeV excitation, i.e., near to the Q window limitation ( Q _EC = 9.37 MeV) of the β-decay from ⁵⁸Zn (T _z = - 1) to ⁵⁸Cu. The strength distribution is compared with that from shell-model calculations. Received: 24 November 2001 / Accepted: 30 January 2002     

Magnetic properties of the cyclic spincluster Fe6:bicine

The magnetic properties of the cyclic compound [Fe₆(bicine)₆] LiClO₄ ^. 2MeOH are reported. The cluster Fe₆(bicine)₆ forms an antiferromagnetically coupled ring structure of Fe ^III ions. The magnetic susceptibility is measured between 2 and 300 K and yields the exchange coupling of J/k _B = - 27.5±0.5 K. The field dependence of the magnetic moment is studied at 3 and 6 K in magnetic fields up to 5 T. The zero-field splitting of the first excited spin states with S = 2 and 3 are determined by ESR at 94 GHz. The intra-molecular interactions of the Fe ^III ions are analyzed and the on-site anisotropy of the Fe ^III due to the ligand-configuration is determined to d /k _B = - 0.633±0.008K. Received 28 October 2002 / Received in final form 22 February 2003 Published online 20 June 2003 RID="a" ID="a"e-mail: bernd@piobelix.physik.uni-karlsruhe.de     

Evolution of the N = 20 and N = 28 shell closures in neutron-rich nuclei

The isospin dependence of shell closure phenomena is studied for light neutron-rich nuclei within a microscopic self-consistent approach using the Gogny force. Introducing configuration mixing, ³²Mg is found to be dynamically deformed, although the N = 20 spherical shell closure persists at the mean-field level for all N = 20 isotones. In contrast, the N = 28 spherical shell closure is found to disappear for N - Z≥ 10 whereas deformed shell closures are preserved and lead to shape coexistence in ⁴⁴ S. Configuration mixing shows that the ground state of this nucleus is triaxially deformed. The first 2⁺ excitation energy E_x = 1.46 MeV and the reduced transition probability B(E2;0⁺ _gs→ 2⁺ ₁)= 420 e ² fm ⁴ obtained with our approach are in good agreement with experimental data. Received: 26 July 2000 / Accepted: 30 August 2000     

Energy landscapes, lowest gaps, and susceptibility of elastic manifolds at zero temperature

We study the effect of an external field on (1 + 1) and (2 + 1) dimensional elastic manifolds, at zero temperature and with random bond disorder. Due to the glassy energy landscape the configuration of a manifold changes often in abrupt, “first order”-type of large jumps when the field is applied. First the scaling behavior of the energy gap between the global energy minimum and the next lowest minimum of the manifold is considered, by employing exact ground state calculations and an extreme statistics argument. The scaling has a logarithmic prefactor originating from the number of the minima in the landscape, and reads ΔE ₁∼L ^θ[ln(L _z L ^{- ζ})]^-1/2, where ζ is the roughness exponent and θ is the energy fluctuation exponent of the manifold, L is the linear size of the manifold, and L_z is the system height. The gap scaling is extended to the case of a finite external field and yields for the susceptibility of the manifolds ∼L ^{2D + 1 - θ}[(1 - ζ)ln(L)]^1/2. We also present a mean field argument for the finite size scaling of the first jump field, h ₁∼L ^{d - θ}. The implications to wetting in random systems, to finite-temperature behavior and the relation to Kardar-Parisi-Zhang non-equilibrium surface growth are discussed. Received December 2000 and Received in final form April 2001     

Quantum theory of the magneto-optical effect and magnetization of Nd-substituted yttrium iron garnet

The magneto-optical and magnetic properties of Nd ³⁺ ions in Y ₃Fe ₅O ₁₂ garnet are analyzed by using quantum theory. In the spontaneous state, the magneto-optical effects originate mainly from the intra-ionic electric dipole transitions between the 4 f ³ and 4 f ²5d states split by the spin-orbit, crystal field, and superexchange interactions. For the excited configuration, the coupling scheme of Yanase is extended to the Nd ³⁺ ion. The magneto-optical resonance frequencies are mainly determined by the splitting of the 5d states induced by the crystal field. The theoretical results of both Nd magnetization and Faraday rotation are in good agreement with experiments. The observed Faraday rotation is proved to be of the paramagnetic type. Although the value of the magneto-optical resonance frequency derived from a macroscopic analysis is approximately confirmed by our theoretical study, a new assignment about the transitions associated with this resonance is unambiguously determined. The spin-orbit coupling of the ground configuration has a great influence on both the Faraday rotation and magnetization, but, unlike the theoretical results obtained in some metals and alloys, the relation between the Faraday rotation and the spin-orbit coupling strength is more complex than a linear one. The magnitude of the magneto-optical coefficient increases as the spin-orbit interaction strength of the ground configuration decreases when the strength is not very weak. Finally, the temperature dependence of the magneto-optical coefficient and the effect of the mixing of different ground-term multiplets induced by the crystal field are analyzed. Received 8 November 2000     

Coherent population trapping involving Rydberg states in xenon probed by ionization suppression

We report the observation of pronounced coherent population trapping and dark resonances in Rydberg states of xenon. A weak two-photon coupling with radiation of = 250 nm is induced between the 5p^{6 1} S ₀ ground state of xenon and state 5p ⁵6p[1/2]₀, leading to (2+1) resonantly enhanced three-photon ionization. The state 5p ⁵6p[1/2]₀ is strongly coupled by radiation with ≃ 600 nm to 5p ⁵ ns[J _C]₁ or 5p ⁵ nd[J _C]₁ Rydberg states with principal quantum numbers n in the range 18 ?n? 23 and with the rotational quantum number of the ionic core J _C = 1/2 or J _C = 3/2. The ionization is monitored through observation of the photoelectrons with an energy resolution ΔE = 150 meV which is sufficient to distinguish the ionization processes into the two ionization continua. Pronounced and robust dark resonances are observed in the ionization rate whenever is tuned to resonance with one of the ns- or nd-Rydberg states. The dark resonances are due to efficient population trapping in the atomic ground state 5p^{6 1} S ₀ through the suppression of excitation of the intermediate state 5p ⁵6p[1/2]₀. The resolution is sufficient to resolve the hyperfine structure of the ns-Rydberg levels for odd xenon isotopes. The hyperfine splitting does not vary significantly with n in the given range. Results from model calculations taking the natural isotope abundance into account are in good agreement with the observed spectral structures. Pronounced dark resonances are also observed when the dressing radiation field with is generated from a laser with poor coherence properties. The maximum reduction of the ionization signal clearly exceeds 50%, a value which is expected to be the maximum, when the dip is caused by saturation of the transition rate between the intermediate and the Rydberg state due to incoherent radiation. This work demonstrates the potential of dark resonance spectroscopy of high lying electronic states of rare gas atoms. Received 7 May 2000 and Received in final form 25 June 2001     

Magnetic reconstructions at the surface of the B2 FeV alloy

We present an ab initio study of the magnetic surface reconstructions of the B2 FeV alloy using a self-consistent tight-binding linearized muffin tin orbital method developed in the atomic spheres approximation. For (001) and (111), the surface reconstruction stabilizes configurations unstable in the bulk alloy. When Fe is at the (001) surface, a c(2×2) in-plane antiferromagnetic order is found to be the ground state with magnetic moments of -2.32 and 2.27. A p(1×1) ↓ ferromagnetic order is displayed in case of V toplayer with a magnetic moment of -1.83. At the (111) surface, we obtain for Fe toplayer two solutions p(1×1)↑ and p(2×1). The configuration p(1×1)↑ is found to be the ground state with a magnetic moment per atom of 2.34. For V toplayer, only the p(1×1) ↓ solution is obtained with a moment of -0.84. In all cases, the Fe-V coupling is always antiparallel like in the bulk. Our results are discussed and compared to experiments. Received 11 August 2000 and Received in final form 8 June 2001     

类镍等电子系列离子M1,M2,E2禁戒跃迁特性的理论研究

利用基于全相对论框架下的多组态Dirac-Fock理论方法发展起来的程序包GRASP92和新发展的处理辐射跃迁过程的程序REOS99，计算了类镍等电子系列离子(Z=45—95)的基组态3s²3p⁶3d¹⁰¹S₀以及低激发组态3s²3p⁶3d⁹4l,3s²3p⁵3d¹⁰4l和3s3p⁶3d¹⁰4l(l=s,p,d,f)的能级及其向基态的M1,M2,E2禁戒跃迁概率.通过分析高离化类镍离子在特定的原子序数范围内由于存在能级交叉而产生的强组态相互作用，解释了高离化类镍离子禁戒跃迁概率的反常变化现象，探讨了禁戒跃迁概率受强组态相互作用影响而变化的一般规律.     

Magnetic properties of the υj15/2 intruder orbital in the superdeformed minimum of 197Pb

This work has established eight cross-talk transitions between the two signature partner superdeformed (SD) bands in ¹⁹⁷Pb with the EUROBALL IV spectrometer. Directional correlations from oriented states measurements confirm the ΔI = 1 character of these transitions. The flat behaviour of the dynamical moment of inertia and the agreement between the experimental and microscopic HF+BCS values of (g _K - g _R)K/Q ₀ suggest that the configuration of the SD bands is based upon the υ[752]5/2^- neutron intruder orbital. The derived effective spin gyromagnetic factor g _s ^eff is found to be not quenched, and is close to the theoretical g _s ^free value. Received: 14 June 2000 / Accepted: 14 September 2000