Coulomb predissociation rates of He dµ molecular ions

The predissociation or particle emitting decay rates of muonic molecular ions³He dµ and⁴He dµ are estimated by means of the complex rotation method. We use a highly accurate variational three-bodyP-wave function based on random-tempered Slater-type exponential expansion. A resonance eigenvalue ofE=–48.420 89 eV and =0.348 × 10^–3 eV for the³He dµ ion and a resonance eigenvalue ofE=–58.225 303 eV and =0.118 × 10^–3 eV for the⁴He dµ ion have been obtained. These results are in a good agreement with the ones previously obtained by Kino and Kamimura by scattering calculation with the non-adiabatic coupled-rearrangement-channel method.     

Theoretical study of LiCl− and LiBr− molecular ions

The molecular structures and spectroscopic constants of the ground electronic states of LiCl^? and LiBr^? are investigated with the coupled-cluster method. To improve the accuracy of our calculations, we have employed the extrapolation schemes as well as corrections of the core–valence correlation and scalar relativistic effect. The equilibrium parameters, potential energy curves, force constants, vibrational energy levels and spectroscopic parameters of both molecular ions are derived, in which those of LiBr^? are reported for the first time. The electron affinities and vertical detachment energies of neutral and anionic LiCl and LiBr are also evaluated.     

Energetical structure of muonic molecular ions ddµ and dtµ

The long-lived states lying below then=2 threshold in muonic molecular ions ddµ and dtµ are reviewed. We have considered all the known long-lived states both of normal and anomalous spatial parity, the bound states as well as resonant three-body states of shape and Feshbach types. It is shown that these states could be satisfactorily classified in terms of the Born-Oppenheimer adiabatic theory. We calculate some characteristic properties of the Feshbach resonances, thus obtaining that the life-time of the 3d states is greater than 10^–11 s, and the fusion rate from these states less than 10⁹ s^–1. The geometry of the 4f(J=0,v=0) state shows that it does not obey approximate ungerade symmetry. On the contrary, the low vibrational 3d states are approximately of gerade symmetry, as a result these states decay ejecting dµ atoms in the same proportion as tµ atoms.     

Neutralization of H− ions in collisions with fast, multiply charged ions

The neutralization of H⁻ ions in collisions with fast, multiply charged ions is considered in the parameter region where the Born approximation applies. An analytical formula is obtained for the H⁻ neutralization cross section in such collisions. Zh. Tekh. Fiz. 69, 1–4 (July 1999)     

Bound states and resonance states of the plasma-embedded tdμ and ddμ molecular ions

We have investigated the bound states and resonance states of plasma-embedded tdμ and ddμ molecular ions using accurate correlated basis functions. The plasma effect has been taken care of by considering the Debye shielding approach of plasma modeling which admits a variety of plasma conditions. The density of resonance states are calculated using the stabilization method. The ground and excited states energies, and the S-wave resonance energies of tdμ and ddμ molecular ions immersed in plasmas are reported for various shielding parameters, along with the 1S and 2S threshold energies of the tμ and dμ atoms.     

The dependence of high-order harmonic generation on the laser frequency and inter-nuclear distance from multi-atom molecular ions

High-order harmonic generation from one-dimensional (1D) multi-atom molecular ions in an ultra-short laser field is theoretically investigated. The dynamics of the electron in a linearly polarized intense laser field is analyzed in terms of 1D Schrodinger equation with the Crank-Nicolson algorithm. The dependence of high-order harmonics on the laser frequency and the inter-nuclear distance is discussed. It is found that the optimum range of inter-nuclear distance should be changed to get extended harmonic generation for different laser frequency, and the lower frequency laser pulse is favorable to higher order harmonic generation as the inter-nuclear distance increases.     

Snowballs of radioactive ions — nuclear spin polarization of core ions

Short-lived ions¹²B (beta-radioactive, T_1/2=20.3 ms) sustaining nuclear spin polarization were introduced into superfluid helium at 1.7 K. It was found that the¹²B ions were transported as charged entities under a static electric field and that the nuclear polarization was maintained throughout the lifetime of¹²B nuclei. Polarization of¹²B was determined through beta-NMR method. Snowball, a singly charged microcluster of helium atoms formed around an impurity ion, is responsible for the behaviour and thus constitutes a suitable environment for preserving nuclear polarization of the core ions¹²B. In a separate experiment snowballs were produced by implanting⁸Li (T_1/2=830 ms) into liquid helium and detected by means of alpha particles from the core ions to guarantee that the snowballs survive longer than the lifetime of¹²B.     

Divalent rare-earth ions Pr,Sm, Нo,Er, Tm,and Yb in crystals of alkaline-earth fluorides

The absorption spectra of radiation-colored CaF₂, SrF₂, and BaF₂ crystals activated by trivalent Pr, Sm, Нo, Er, Tm, and Yb (rare-earth, RE) ions are studied. It is shown that ionizing radiation reduces the impurity ions to the divalent state. The temperature resistance of divalent RE ions of radiation-colored CaF₂ crystals correlates with the chemical stability of the compounds with divalent RE ions. The photochromic centers are produced in CaF₂-Pr crystal colored by radiation at room temperature and heated to 200°C.     

OH− ions in Oxide Crystals

This article reviews the spectroscopic properties of hydrogen bound to a large variety of synthetic compounds like simple oxides, perovskites, the LiNbO₃ family, KTP, sillenites, eulytites, borates, garnets, spinels and some others. In almost all compounds the OH stretch mode is found in the range 3200-3700 cm^?1, with isotope replica of deuterium (2350-2750 cm^?1) and a few examples of tritium (2050-2250 cm^?1). The fundamental vibration, the isotope replica and the corresponding overtones are described with an anharmonic oscillator model. A nonlinear relation between the anharmonicity and the harmonic frequency is found and interpreted using recent second order perturbation calculations. An often pronounced temperature dependence of the stretch mode and phonon coupling is discussed. Data for the stretching vibration influenced by additional weak or strong doping are presented. Atomistic defect models are described and tested by means of light polarization, external perturbations like pressure and electric field, and Raman scattering analyzed with the behavior-type method. The last section briefly reviews applications profiting from doping with hydrogen and its easy detection by means of the OH stretch mode.     

Towards sympathetic cooling of trapped ions with laser-cooled Mg + ions for mass spectrometry and laser spectroscopy

Sympathetic cooling by laser cooled Mg ions has been proposed as a method for fast cooling of highly charged ions to a very low temperature. The paper describes the construction of the solid state laser system at 279.63 nm required for laser cooling of the Mg ions. The laser system is composed of a fiber laser at 1,118.54 nm and two successive second harmonic generation (SHG) ring cavities for frequency quadrupling. In the first SHG cavity, non-critical phase matching of a lithium triborate (LBO) crystal is used for doubling from 1,118.54 to 559.27 nm. The second SHG cavity uses critical phase matching of a β-barium borate (BBO) crystal for doubling from 559.27 to 279.63 nm. With the aid of Boyd–Kleinmann theory, optimum experimental parameters are calculated and used for an efficient SHG. Besides this, the paper intends to be a shortcut for practical applications of the Boyd–Kleinmann theory for SHG.     

Adsorption of sodium ions and hydrated sodium ions on a hydrophobic graphite surface via cation-π interactions

Using density functional theory computation, we show that sodium ions and hydrated sodium ions can be strongly adsorbed onto a hydrophobic graphite surface via cation-π interactions. The key to this cation-π interaction is the coupling of the delocalized π states of graphite and the empty orbitals of sodium ions. This finding implies that the property of the graphite surface is extremely dependent on the existence of the ions on the surface, suggesting that the hydrophobic property of the graphite surface may be affected by the existence of the sodium ions.     

Kβ X-ray emission from He-like ions

Relativistic calculations on the energies and electric dipole rates of K_β X-rays from 1s3p(¹P₁,³P₁)-1s² (¹S₀) transitions for He-like ions in the range Z=14–54 are carried out using multi-configuration Dirac–Fock (MCDF) wave functions in the active space interaction approach. The contributions from Breit interaction and quantum electrodynamics have also been included in the calculation. An attempt has been made to find a scaling expression for Breit energy in terms of Zα .The scaled Breit energies are in good agreement with the earlier accurate relativistic results and this ensures the reliability of our scaling procedure. The behavior of MCDF wavefunctions for a given J in the non-relativistic limit has also been studied. The calculated K_β X-ray energies and rates agree well with other available experimental and theoretical values.     

Electron paramagnetic resonance and optical spectroscopy of K3Na(CrO4)2 ferroelastics activated by MnO 4 2− molecular impurity ions

Crystals of a proper ferroelastic K₃Na(CrO₄)₂ containing molecular impurity ions MnO ₄ ^2? are studied using electron paramagnetic resonance (EPR) and optical spectroscopy. The EPR spectrum of the Mn⁶⁺ ion contained in the molecular impurity ion MnO ₄ ^2? is identified at low temperatures (T ≤ 20 K). The intensity of this spectrum decreases unusually fast as the temperature increases. A broad IR luminescence band with a vibronic structure well resolved at a temperature of 8 K is revealed. Theoretical treatment of the Mn⁶⁺ ion involved in the molecular impurity ions MnO ₄ ^2? of the K₃Na(CrO₄)₂ ferroelastic crystal suggests that an important role in this case is played by the pseudo-Jahn-Teller. The pseudo-Jahn-Teller effect offers an explanation for the appearance of a fine structure in the vibronic replicas in the luminescence spectrum, on the one hand, and accounts for the fast decrease in the intensity of the EPR spectrum of K₃Na(CrO₄)₂: MnO ₄ ^2? with increasing temperature, on the other.     

Single electron capture in collisions of N^q＋ （q = 5, 6, 7） ions with helium

Close-coupling calculations are carried out for cross sections of the single electron capture in collisions of N^q+ (q = 5, 6, 7) ions with helium atoms in the collision velocity range from 0.3 a.u. to 1.8 a.u. The relative importances of the single ionization (SI) to the single capture (SC) are investigated for the N^q+ (q = 5, 6, 7) projectiles, respectively. The SI/SC cross section ratio for the N⁷⁺ projectile obtained from our calculations is in excellent agreement with the experimental data. The ratio curves also show us distinct behaviours when the charge of the projectile is different. The partial electron capture cross sections for different projectiles indicate that the electron on the target He atom tends to be captured by the projectile into its lower orbital of the outer shell with the decreasing projectile charge.     

Focused microprobes of high energy ions — versatile analytical probes for surfaces,interfaces and devices

Today, more than 50 laboratories world-wide (including more than seven in Japan and three in Australia) apply focused microprobes of high-energy ions to a wide range of problems involving materials analysis. MeV ions penetrate deeply into matter and can therefore be used to probe and image surface and deeply buried structures. High sensitivity (ppm) trace analysis is possible from induced X-rays and backscattered particles can be used to measure stoichiometry and produce depth profiles down to about 10 μm below the specimen surface. The forward recoil of hydrogen displaced by heavier ions can be used to map the hydrogen distribution. Induced charge can be collected, so images of the charge collection efficiency of the specimen can be produced. This presentation reviews recent applications of these techniques to the study of a diverse range of materials and devices including synthetic diamond, filiform corrosion tracks on aluminium, trace element contamination and charge collection efficiency in solar cells and the hydrogen distribution in solar cell material.     

Algebraic connectivity analysis in molecular electronic structure theory I: coulomb potential,tensor connectivity, ε-approximation

In this (first) paper we attempt to generalize the notion of tensor connectivity, subsequently studying how this property is affected in different tensorial operations. We show that the often implied corollary of the linked diagram theorem, namely individual size-extensivity of arbitrary connected closed diagrams, can be violated in Coulomb systems. In particular, the assumption of the existence of localized Hartree–Fock orbitals is generally incompatible with the individual size-extensivity of connected closed diagrams when the interaction tensor is generated by the true two-body part of the electronic Hamiltonian. Thus, in general, size-extensivity of a many-body method may originate in specific cancellations of super-extensive quantities, breaking the convenient one-to-one correspondence between the connectivity of arbitrary many-body equations and the size-extensivity of the expectation values evaluated by those equations (for example, when certain diagrams are discarded from the method). Nevertheless, assuming that many-body equations are evaluated for a stable many-particle system, it is possible to introduce a workaround, called the ε-approximation, which restores the individual size-extensivity of an arbitrary connected closed diagram, without qualitatively affecting the asymptotic behavior of the computed expectation values. No assumptions concerning the periodicity of the system and its strict electrical neutrality are made.     

Quasichanneling of ions in crystals. I. Elastic scattering of ions on atomic “chains” and planes

The scattering of quasichanneled particles on atomic chains and planes is studied by computer simulation for the crystals of chemical compounds. It is shown that quasichanneling is the specific regime of ion motion in the lattice. Its main features are: (1) a sharp increase of the backscattering probability; (2) transition of the ions from the quasichanneled component into a random one; (3) high sensitivity to the structure and the composition of the atomic “chain”; (4) dependence on the value and the direction of the atomic displacements.     

Electron-impact ionization cross section calculations for lithium-like ions

The electron-impact ionization of lithium-like ions C³⁺,N⁴⁺,O⁵⁺,Ne⁷⁺,and Fe2³⁺is studied using a combination of two-potential distorted-wave and R-matrix methods with a relativistic correction.Total cross sections are computed for incident energies from 1 to 10 times of ionization energy and better agreements with the experimental results are obtained in comparison with the theoretical data available.It is found that the indirect ionization processes become significant for the incident energy larger than about four times of the ionization energy.Contributions from the exchange effects along the isoelectronic sequence are also discussed and found to be important.The present method can be used to obtain systematic ionization cross sections for highly charged ions across a wide incident energy range.