Zeeman effect and configuration interaction in germanium.
Zeeman effect of germanium I and II, discussing configuration-interaction, deriving intermediate- coupling wave functions
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Zeeman effect of germanium I and II, discussing configuration-interaction, deriving intermediate- coupling wave functions
Transition probabilities and oscillator strengths in IR and visible spectra of neutral rare gases, using intermediate coupling approximation
Improved values of the proton impact excitation cross sections at coronal energies for all the Fe(+12) ground configuration transitions are presented. These were obtained by direct computer integration of the Schroedinger equation (with the states expressed in intermediate coupling) resulting from the semiclassical Coulomb excitation theory formulation of the process. Comparison is made with previous results. The associated rate constants at coronal temperatures are given and compared with the corresponding electron impact excitation rate constants.
Electron impact energy-loss spectra of Xe have been studied at 20 eV incident electron energy at scattering angles from 5 to 135 deg. Differential and integral cross sections for elastic scattering and for the excitation of electronic states up to 10.60 eV energy loss have been determined. The validity of the optical selection rules and the previously established angular behavior associated with direct and exchange processes were examined for this intermediate coupling case.
The three-electron configurations of 1s2lambda3lambda of neon are observed in ion-atom collisions and beam foil excitation. Multiplet Auger and x ray transition rates obtained in intermediate coupling are calculated. Fluorescence yields are also computed.
Analysis of the Ag L-series X-ray spectrum has been performed, based on relaxed-orbital relativistic transition-energy calculations. Satellite energies were computed in intermediate coupling. It is found that satellites arising from LN double-hole states generally fall within the natural width of the parent diagram lines. Contrary to previous assumption, the observed high-energy satellites are due to LM double-hole states produced by L1-L3M4,5 Coster-Kronig transitions and by shakeoff. The observed peak structure in the satellite spectrum is due to multiplet splitting of the initial and final double-hole states. Theoretical L1-L3M4,5 transition rates based on the Coster-Kronig energies computed by Chen et al. (1977) are closer to experiment than previous results, but still are too large by a factor of about 2, indicating an as-yet undetected flaw in the theory.
X-ray energies, Auger and radiative decay rates, and fluorescence yields have been computed in intermediate coupling for the various states of the 1s2s3s, 1s2s3p, 1s2p3p, 1s2p3s, and 1s2p3d configurations of Ne-10(7+). The results supplement recent experimental work on these transitions.
Atomic inner-shell processes have quite different characteristics, in several important aspects, from processes in the optical regime. Energies are large, e.g., the 1s binding energy reaches 100 keV at Z = 87; relativistic and quantum-electrodynamic effects therefore are strong. Radiationless transitions vastly dominate over photon emission in most cases. Isolated inner-shell vacancies have pronounced single-particle character, with correlations generally contributing only approximately 1 eV to the 1s and 2p binding energies; the structure of such systems is thus well tractable by independent-particle self-consistent-field atomic models. For systems containing multiple deep inner-shell vacancies, or for highly stripped ions, the importance of relativistic intermediate coupling and configuration interaction becomes pronounced. Cancellation of the Coulomb interaction can lead to strong manifestations of the Breit interaction in such phenomena as multiplet splitting and hypersatellite X-ray shifts. Unique opportunities arise for the test of theory.
An electric dipole moment function (EDMF) for the X 2Pi ground state of OH, based on the complete active-space self-consistent field plus a multireference singles-plus-double excitation configuration-interaction procedure (using an extended Slater basis) is reported. Two theoretical EDMFS are considered: the MCSCF (7)-SCEP EDMF of Werner et al., (1983) and a previously unpublished EDMF based on the MCSCF multireference CI(SD) procedure using a large Slater basis. The theoretical treatment follows that of Mies (1974), except that the Hill and Van Vleck (1928) approximation to intermediate coupling is used. This approximation is shown to be accurate to better than 5 percent for the six principal branches of the OH Meinel system.
The excitation energies and oscillator strengths are calculated for electric-dipole-allowed and intercombination transitions between 3s2 1S, 3s3p(1,3)P0, 3p2 3P, 1D, 1S and 3s3d(1,3)D states in Ar VII, Ca IX, and Fe XV ions of the magnesium sequence. These states are represented by the fairly large configuration-interaction expansions. The calculations have been carried out in both LS and intermediate coupling schemes. The relativistic corrections have been included through the Breit-Pauli Hamiltonian. The results are compared with previous theoretical calculations and with measurements.
The collision strengths for electron-impact excitation of fine-structure transitions from the ground 3s23p3 configuration to the excited 3s3p4 configuration in Fe XII are presented. These are calculated by transforming the K-matrices obtained in a nonrelativistic R-matrix method to K-matrices in intermediate coupling using term-coupling coefficients which take into account the effect of breakdown of target LS coupling. Extensive configuration-interaction wave functions are used to represent the target states. The effective collision strengths are determined assuming a Maxwellian distribution of electron energies. Rydberg series of resonances converging to the excited state thresholds are explicitly included in the calculation. The relative level populations and emission-line strengths for Fe XII are calculated using the new atomic data presented in this paper and that published by Tayal, Henry, and Pradhan (1987) and Tayal and Henry (1986) over a wide range of electron densities and temperatures (1-2 x 10 to the 6th K). Present results for collision strengths and emission-line strengths are compared with the previous calculation of Flower (1977). Some significant differences are noted.
Comparative linear nonadiabatic pulsation calculations are presented using the OPAL and Opacity Project opacities. The two sets of opacities include effects due to intermediate coupling and fine structure as well as new abundances. We used two mass luminosity (M-L) relations, one standard (BIT), and one employing substantial convective core overshoot (COV). The two sets of opacities cannot be differentiated on the basis of the stellar pulsation calculations presented here. The BIT relation can model the beat and bump Cepheids with masses between 4 and 7 solar mass, while if the overshoot relation is used, masses between 2 and 6 solar mass are required. In the RR Lyrae regime, we find the inferred masses of globular cluster RRd stars to be little influenced by the choice of OPAL or OP. Finally, the limited modeling we have done is not able to constrain the Cepheid M-L relation based upon period ratios observed in the beat and bump stars.
Oscillator strengths and transition probabilities for transitions among the fine-structure levels of the terms belonging to the 3s(sup 2)3p(sup 2), 3s3p(sup 3), 3s(sup 2)3p3d, 3s(sup 2)3p4s, 3s(sup 2)3p4p, and 3s(sup 2)3p4d configurations of S III are calculated using extensive configuration-interaction wave functions. The relativistic effects in intermediate coupling are incorporated by means of the Breit-Pauli Hamiltonian. Small adjustments to the diagonal elements of the Hamiltonian matrices have been made so that the energy splittings are as close as possible to the experimental values. The present results are compared with other available calculations and experiments.
Electron impact collision strengths, energy levels, oscillator strengths and spontaneous radiative decay rates are calculated for Ni XXI. The configurations used are 2s(sup 2)2p(sup 4), 2s2p(sup 5), 2p(sup 6), 2s(sup 2)2p(sup 3)3s, and 2s(sup 2)3p(sup 3)3d giving rise to 58 fine-structure levels in intermediate coupling. Collision strengths are calculated at five incident energies, 85, 170, 255, 340, and 425 Ry. Excitation rate coefficients are calculated by assuming a Maxwellian electron velocity distribution at an electron temperature of log T(sub e)(K)=6.9, corresponding to maximum abundance of Ni XXI. Using the excitation rate coefficients and the radiative transition rates, statistical equilibrium equations for level populations are solved at electron densities 10(exp 8)-10(exp 14) per cubic centimeter. Relative spectral line intensities are calculated. Proton excitation rates between the lowest three levels have been included in the statistical equilibrium equations. The predicted intensity ratios are compared with available observations.
Electron impact collision strengths, energy levels, oscillator strengths and spontaneous radiative decay rates are calculated for Ne III. The configurations used are 2s(sup 2) 2p(sup 4),2s2p(sup 5),2s(sup 2) 2p(sup 3)3s, and 2s(sup 2)3p(sup 3)3d giving rise to 57 fine-structure levels in intermediate coupling. Collision strengths are calculated at five incident energies, 5, 10, 15, 20, and 25 Ry. Excitation rate coefficients are calculated by assuming a Maxwellian electron velocity distribution at an electron temperature of logT,(K)=5.0, corresponding to maximum abundance of Ne III. Using the excitation rate coefficients and the radiative transition rates, statistical equilibrium equations for level populations are solved at electron densities covering the range of 10(exp 8)-10(exp 14) per cubic centimeter. Relative spectral line intensities are calculated. Proton excitation rates between the lowest three levels have been included in the statistical equilibrium equations. The predicted Ne III line intensities are compared with SERTS rocket measurements of a solar active region and of a laboratory EUV light source.
The El Nino - Southern Oscillation (ENSO) is the dominant mode of global interannual climate variability, and seems to be the only mode for which current prediction methods are more skillful than climatology or persistence. The Zebiak and Cane intermediate coupled ocean-atmosphere model has been in use for ENSO prediction for more than a decade, with notable success. However, the sole dependence of its original initialization scheme and the improved initialization on wind fields derived from merchant ship observations proved to be a liability during 1997/1998 El Nino event: the deficiencies of wind observations prevented the oceanic component of the model from reaching the realistic state during the year prior to the event, and the forecast failed. Our work on the project was concentrated on the use of satellite data for improving various stages of ENSO prediction technology: model initialization, bias correction, and data assimilation. Close collaboration with other teams of the IDS project was maintained throughout.
In the present work we calculate energy levels, transition probabilities and electron-ion collisional excitation rates for the 3s(sup 2)3p(sup 2), 3s3p(sup 3) and 3s(sup 2)3p3d configurations of the silicon-like ion Ca VII. The total number of intermediate coupling levels considered is 27. Collision strengths are calculated at seven incident electron energies: 8, 10, 15, 20, 30,40 and 60 Ry, using the Distorted Wave approximation and a 5-configuration model. Excitation rate coefficients are calculated by assuming a Maxwellian distribution of velocities and are used to calculate level populations and line emissivities under the assumption of statistical equilibrium. Line intensity ratios are calculated and compared with observed values measured from SERTS and SOHO/CDS spectra. The diagnostic potential of Ca VII is demonstrated, with particular emphasis on the possibility to measure the Ne/Ca relative abundance through simultaneous observations of Ca VII and N VI lines. Ca VII proves to be an excellent tool for the study of the FIP effect in the solar transition region.
Electron impact collision strengths, energy levels, oscillator strengths and spontaneous radiative decay rates are calculated for S XI. The configurations included are 2s(sup 2)2psup 2), 2s2p(sup 3), 2p(sup 4), 2s(sup 2)2p3l and 2s(sup 2)2p4l (I = s , p , d) giving rise to 72 fine-structure levels in intermediate coupling. Collision strengths are calculated at five incident energies, 32, 60, 90, 120, and 150 Ry. Excitation rate coefficients are calculated as a function of electron temperature by assuming a Maxwellian electron velocity distribution. Using the excitation rate coefficients and the radiative transition rates, statistical equilibrium equations for level populations are solved: The effects of resonances, proton rates, photoexcitation and cascades on level populations have been investigate. The predicted S XI line intensities are compared with EUV and UV observations of the quiet and active Sun.