Relativistic Multichannel Treatment of Krypton Spectra across the First Ionization Threshold

The relativistic multichannel theory has been extended to calculate both the eigen quantum defects μα, transformation matrix Uiα, and the eigen dipole matrix elements Dα of krypton. The Rydberg and autoionization spectra of krypton across the first ionization threshold are calculated within the framework of multichannel quantum defect theory. Our calculated spectra are in agreement with the absolute measurement data.     

Theoretical analysis of ionic autoionization spectra of lanthanum via an intermediate state [Xe]5d6d 1P1

In the framework of multi-channel quantum defect theory, eigenquantum defects μα and the transformation matrices Uiα of La+ are calculated from first principles by relativistic multi-channel theory, while the dipole matrix elements Dα are obtained by fitting with experimental data. Then the ionic autoionization spectra of lanthanum via the inter-mediate state [Xe]5d6d 1P1 in the energy region of 90213-91905 cm-1 are obtained. Experimental peaks are classified and assigned by comparing with the corresponding calculated spectra. More specifically, four ionic autoionization Rydberg series converging to La2+ 5d5/2 2D5/2 and several states converging to higher lying states of La2+ are found and assigned.     

Relativistic Multichannel Treatment of Ionic Rydberg States of Lanthanum

Ionic Rydberg energy levels of lanthanum are calculated from first principles by relativistic multichannel theory within the framework of multichannel quantum defect theory. The present calculated results are in better agreement with the experimental measurements than the previous calculations [J. Phys. B 34 （2001）369] due to the consideration of dynamical polarizations. Moreover, in the experimental spectra achieved by a five-laser resonance excitation via the intermediate state 5d6d^3 F2, a series of weak ionic Rydberg states and some of perturbing states are found and assigned in this work.     

Infrared Spectroscopic Analysis of Chrysene and 1.2-Benzanthracence in Wax films

Chrysene and 1.2-benzanthracene are successfully doped in a solid wax film and their vibrational spectra in gooo--400cm^-1 are discussed. The harmonic frequencies and relative intensities of both the molecules observed in the film are compared with theoretical values calculated by the density functional theory （DFT） model as well as with the previous experimental data. The effects on spectra due to change of matrix and some additional bands observed in the wax film are also reported. Excellent agreement in the spectral positions and strengths between the experiments and DFT values are found.     

Optical spectra and local structure of Eu3+ ions doped in Nb2O5-La2O3-B2O3-BaO glasses

The xNb2O5-(15-x)La2O3-40B2O3-45BaO (x = 5, 7.5, 12.5 mol%) glasses doped with Eu3+ ions in 1mol% are fabricated by the melting method. The Fourier transform infrared (FTIR) spectra, phonon sideband spectra, emission and excitation spectra of the glasses are measured. The crystal field parameter and coordination number of Eu3+ ions in the glasses are obtained according to the splitting of their 5D0 - 7F1levels. The intensity parameters Ω2 and Ω4 of Eu3+ ions for optical transition are calculated from their emission spectra in terms of reduced matrix U(t) (λ= 2,4,6) character for optical transitions. The results indicate that the intensity parameters Ω2 and Ω4 increase with the increase of Nb2O5 content, suggesting that the symmetry becomes lower, the band of Eu and O atoms becomes stronger and the covalence increases with the increase of Nb2O5 content.     

Optical spectra and local structure of Eu~(3+) ions doped in Nb_2O_5-La_2O_3-B_2O_3-BaO glasses

The xNb2O5-(15-x)La2O3-40B2O3-45BaO (x = 5, 7,5, 12.5 mol%) glasses doped with Eu3 mol% are fabricated by the melting method. The Fourier transform infrared (FTIR) spectra, phonon sideband spectra, emission and excitation spectra of the glasses are measured. The crystal field parameter and coordination number of Eu3 ions in the glasses are obtained according to the splitting of their 5D0 - 7F1 levels. The intensity parametersΩ2 andΩ4 of Eu3 ions for optical transition are calculated from their emission spectra in terms of reduced matrix U(t) (λ= 2, 4, 6) character for optical transitions. The results indicate that the intensity parametersΩ2 andΩ4 increase with the increase of Nb2O5 content, suggesting that the symmetry becomes lower, the band of Eu and O atoms becomes stronger and the covalence increases with the increase of Nb2O5 content.     

Model Potential Calculations of Oscillator Strength Spectra of Rydberg Li Atoms in External Fields

By combining the B-spline basis set with model potential （B-spline ＋ MP）, we present oscillator strength spectra of Rydberg Li atoms in external fields. The photoabsorption spectra are analyzed. Over the narrow energy ranges considered in this paper, the structure of the spectra can be independent of the initial state chosen for a given atom. Our results are in good agreement with previous high-precision experimental data and theoretical calculations, where the R-matrix approach together with multichannel quantum defect theory （R-matrix＋MQDT） was used. It is suggested that the present methods can be applied to deal with the oscillator strength spectra of Rydberg atoms in crossed electric and magnetic fields.     

Energy Spectra,g Factors and Their Pressure—Induced and ／or Thermal Shifts of SrTiO3：Cr^3＋ and SrTiO3：Mn^4＋ I：energy Spectra and g Factors at Normal Pressure

With the strong-field scheme and cubic bases,the complete d^3 energy matrix in a tetragonally distorted cubic-field has been constructed.By diagonalizing this matrix,the energy spectra of SrTiO3:Cr^3 and SrTiO3:Mn^4 at normal pressure and various temperatures have been calculated.Correspondingly,the FORTRAN program calculating the g factor of the ground state has been worked out.By using the program and the wavefunction obtained from diagonalizing the complete energy matrix,the g factors of the ground state of SrTiO3:Cr^3 and SrTiO3:Mn^4 at normal pressure and room temperature have been evaluated.The calculated results are in good agreement with the optical-spectral and EPR experimental data.The comparison and analysis of the results of two crystals have been made.It is demonstrated that the covalency of the bonding between Mn^4 and ligands(O^2-) in SrTiO3:Mn^4 is stronger than the one of the bonding between Cr^3 and ligands(O^2-)in SrTiO3:Cr^3 .It is shown that the obtained wavefunctions and values of parameters are reasonable.     

Analysis of the Zeeman effect on D_α spectra on the EAST tokamak

Based on the passive spectroscopy,the D_α atomic emission spectra in the boundary region of the plasma have been measured by a high resolution optical spectroscopic multichannel analysis(OSMA) system in EAST tokamak.The Zeeman splitting of the D_α spectral lines has been observed.A fitting procedure by using a nonlinear least squares method was applied to fit and analyze all polarization π and ±σ components of the D_α atomic spectra to acquire the information of the local plasma.The spectral line shape was investigated according to emission spectra from different regions(e.g.,low-field side and high-field side) along the viewing chords.Each polarization component was fitted and classified into three energy categories(the cold,warm,and hot components) based on different atomic production processes,in consistent with the transition energy distribution by calculating the gradient of the D_α spectral profile.The emission position,magnetic field intensity,and flow velocity of a deuterium atom were also discussed in the context.     

Channel interaction of Ba 6pns （J=1） autoionizing series

The channel interactions between the Ba 6pnl (J=1) autoionizing series with different l and n have been observed by means of unsaturation and saturation excitation methods.The observed interactions were interpreted with the spectral density calculated from the multichannel quantum defect theory,the results of which are quite satisfactory.     

Theoretical Calculation of Energy Spectrum of YGG：Cr^3＋ and Thermal Shifts of Its R-Lines

With the strong-field scheme and trigonal bases, the complete d3 energy matrix in a trigonally distorted cubic-field has been constructed. By diagonalizing this matrix, the energy spectrum of YGG：Cr^3＋ at normal pressure and low temperature has been calculated. The g factor of the ground-state has been evaluated in terms of the energy spectrum. At the same time, by using the wavefunctions obtained from diagonalizing the complete d^3 energy matrix and Thermal Shifts theory, we calculate the thermal shifts of the sharp lines of YGG：Cr^3＋ and determine the relevant parameters. The calculated results are all in good agreement with the optical-spectrum and EPR experimental data. It is demonstrated that the obtained wavefunctions and the values of parameters are reasonable.     

Sodium atom in strong magnetic fields：a pseudospectral approach

Energies and wavefunctions of low-lying states and Rydberg states for the sodium atom in uniform magnetic fields varying from 0 to 10^5T are calculated using a pseudospectral approach with a model potential in spherical coordinates. The energies are comparable with experimental results as well as those obtained by other calculations. The spectra of oscillator strength are worked out. The evolution of them with the magnetic field is shown.     

Quasiparticle structure of superheavy nuclei in α-decay chains of ~(285)Fl and ~(291,293)Lv

Two mean-field potentials, Woods-Saxon and Skyrme based potentials, are used to calculate the energies of low-lying one-quasiparticle states. The spectra of the low-lying states and the α-decay spectra of nuclei belonging to the α-decay chains of ~(285)Fl and ~(291,293)Lv are calculated and compared with the available experimental data. Dependence of the splitting of the pseudospin doublets and of the energies of the unique parity neutron one-quasiparticle states on the mean field potential are discussed. As shown, the α-decay spectra could be different in the α-decay chain and at the direct production of the nucleus in a fusion reaction.     

Absorption Spectra of a Three-Level Atom Embedded in a PBG Reservoir

We introduce the ‘decay rate＇ terms into the density matrix equations of an atom embedded in a photonic band gap （PBG） reservoir successfully. By utilizing the master equations, the probe absorption spectra and the refractivity properties of a three-level atom in the PBG reservoir are obtained. The interaction between the atom and the PBG reservoir as well as the effects of the quantum interference on the absorption of the atom has also been taken into account. It is interesting that two different types of the anomalous dispersion relations of refractivity are exhibited in one dispersion line. The methodology used here can be applied to theoretical investigation of quantum interference effects of other atomic models embedded in a PBG reservoir.     

Splitting of Spectra in Anharmonic Oscillators Described by Kratzer Potential Function

A perturbation theory model that describes splitting of the spectra in highly symmetrical molecular species in electrostatic field is proposed. An anahrmonie model of a two-dimensional oscillator having Kratzer potential energy function is used to model the molecular species and to represent the unperturbed system. A selection rule for the radial quantum number of the oscillator is derived. The eigenfunctions of a two-dimensional anharmonic oscillator in cylindrical coordinates are used for the matrix elements representing the probability for energy transitions in dipole approximation to be calculated. Several forms of perturbation operators are proposed to model the interaction between the polyatomic molecular species and an electrostatic field. It is found that the degeneracy is removed in the presence of the electric field and spectral splitting occurs. Anharmonic approximation for the unperturbed system is more accurate and reliable representation of a reaJ polyatomic molecular species.     

Atomic emission and cavity field spectra of the Jaynes－Cummings model

Atomic emission and cavity field spectra of the Jaynes－Cummings model are analytically compared. We show that the two spectra are in general different, except for the special case where the interaction is resonant, the cavity is initially empty and the retarded time of one-photon emission is considered in calculations of the spectra. In this case, the two spectra are the same. We also show that this result comes from the fact that the two-time autocorrelation function of the cavity field is not directly proportional to that of the atom.     

Opactiy of Hot and Dense Plasmas of a Mixture using an Average—Atom Approach

An average-atom model is propsed to calculate the opacities of hot and dense plasmas of a mixture.A selfconsistent scheme is used to reach the requirements of the same temperature and chemical potential for all kinds of atoms in the mixtures,the same electron density at the boundaries between the atoms,and the electrical neutrality within each atomic sphere.The orbital energies and wavefunctions for the bound electrons are calculated with the Dirac-Slater equations.The occupation numbers at each orbital of each kind of atom are determined by the Fermi-Dirac distribution with the same chemical potential for all kinds of atoms.As an example,the opacity of the mixture of Au and Cd is calculated at a few temperatures and densities.     

Half-lives and fine structure for the α decay of deformed even-even nuclei

The α-decay properties of well-deformed even-even nuclei are systematically calculated within the multichannel cluster model (MCCM). Instead of working in the WKB framework, the quasibound solution to the coupled Schro¨dinger equation is presented with outgoing wave boundary conditions, and the coupling potential is taken into full account in terms of the general quantum theories. The calculated α-decay half-lives are found to agree well with the experimental data with a mean factor of less than 2. The fine...     

Phase coherence of the electron and hole in a ferromagnetic film in proximity with a superconductor

The scattering matrix approach between the clean and dirty limits is developed for the study of tunneling spectra in a ferromagnetic film in proximity to a superconductor. The minigap and the damped oscillation from ``0" to ``π" state in tunneling conductance are attributed to the phase coherence of the electrons and the corresponding Andreev-reflected holes in the ferromagnetic film. The calculated results provide a reasonable explanation for the behavior observed in recent experiments.     

Investigation on Nonradiative Decay of the Er^3＋^4I13/2 → ^4I15/2 Transition in Different Tellurite Glass Matrix

Three kinds of Er^3＋-doped tellurite glasses with different hydroxyl groups are prepared by the conventional melt-quenching method. Infrared spectra are measured to estimate the exact content of OH^- groups in samples. The maximum phonon energy in glasses are obtained by measuring the Raman scattering spectra. The strength parameters Ωt （t = 2, 4, 6） for all the samples are calculated and compared. The nonradiative decay rate of the Er^3＋ ^4I13/2 → ^4I15/2 transition are calculated for the glass samples with different phonon energy and OH^- group contents. Finally, the effect of OH^- groups on fluorescence decay rate of Er^3＋ is analysed, the constant KOH-Er of TWN, TZPL and TZL glasses are calculated to be 9.2 × 10^-19 cm^4s^-1, 5.9 × 10^-19 cm^4s^-1, and 3.5 × 10^-19 cm^4s^-1, respectively.