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At least 253 records · Page 14

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NASA NTRS1986

On the electron affinity of the oxygen atom

The electron affinity of oxygen is computed to be 1.287 eV, at the full CI level using a 6s5p3d 2f Slater-type orbital basis and correlating only the 2p electrons. The best CASSCF-MRCI result including only 2p correlation is 1.263 eV. However, inclusion of 2s intrashell and 2s2p intershell coorelation increases the computed EA to 1.290 eV at the CASSCF-MRCI level. At the full CI basis set limit, the 2s contribution to the electron affinity is estimated to be as large as 0.1 eV. The higher excitation contribution to the electron affinity is found to increase substantially with basis set completeness, especially when the 2s electrons are correlated. Relativistic effects are shown to make a small (less than 0.01 eV) change in the EA.

Bauschlicher, C. W., Jr.↗

NASA NTRS1987

Theoretical spectroscopic parameters for the low-lying states of the second-row transition metal hydrides

A systematic analysis of the low-lying states of all of the second-row transition metal (TM) hydrides except CdH is reported. The calculations included the dominant relativistic contributions through the use of the relativistic effective core potentials of Hay and Wadt (1985). Electron correlation was incorporated, using single-plus-double configuration interaction, the coupled pair functional (CPF) formalism of Ahlrichs et al. (1985), and the Chong and Langhoff (1986) modified version of the CPF method. The spectroscopic parameters D(e), r(e), and mu(e) determined for the low-lying states are compared with the available experimental data and previous theoretical results. In contrast to the first-row TM hydrides studied earlier (Chong et al., 1986), the spectroscopic constants for the second-row TM hydrides were found to be much less sensitive to the level of correlation treatment.

Langhoff, Stephen R.↗

NASA NTRS1987

On the 3d6 4s2 (5D) - 3d7 4s1 (5F) separation in Fe

Full CI calculations are used to calibrate SDSI treatment of the 5D-5F separation in the Fe atom. The (5s4p2d), (5s4p3d), and (5s4p2d1f) basis sets were used for the FCI calculations. The importance of the 3s and 3p correlation and the relativistic effects are studied at SDCI level. The role of polarization functions in computing atomic separations in transition metal atoms is discussed. It is observed that the FCI separation is slightly smaller than the SDCI results, and the SDCI data yield an adequate description of the 5D-5F separation with only 8 electrons correlated. It is concluded that the differential effect of higher excitations becomes more important when the 3s and 3p electrons are correlated.

Bauschlicher, Charles W., Jr.↗

NASA NTRS1987

Positive ions of the first- and second-row transition metal hydrides

Theoretical dissociation energies for the first- and second-row transition metal hydride positive ions are critically compared against recent experimental values obtained from ion beam reactive scattering methods. Theoretical spectroscopic parameters and dipole moments are presented for the ground and several low-lying excited states. The calculations employ large Gaussian basis sets and account for electron correlation using the single-reference single- and double-excitation configuration interaction and coupled-pair-functional methods. The Darwin and mass-velocity contributions to the relativistic energy are included in the all-electron calculations on the first-row systems using first-order perturbation theory, and in the second-row systems using the Hay and Wadt relativistic effective core potentials. The theoretical D(0) values for the second-row transition metal hydride positive ions should provide a critical measure of the experimental values, which are not as refined as many of those in the first transition row.

Pettersson, Lars G. M.↗

NASA NTRS1986

Accurate ab initio calculations which demonstrate a 3 Pi u ground state for Al2

The spectroscopic parameters and separations between the three low-lying X 3 Pi u, A 3 Sigma g -, and a 1 Sigma g + states of Al2 are studied as a function of both the one-particle and n-particle basis set. Approximate correlation treatments are calibrated against full Cl calculations correlating the six valence electrons in a double-zeta plus two d-function basis set. Since the CASSCF/MRCI 3 Pi u to 3 Sigma g - separation is in excellent agreement wtih the FCI value, the MRCI calculations were carried out in an extended (20s13p6d4f)/(6s5p3d2f) gaussian basis. Including a small correction for relativistic effects, the best estimate is that 3 Sigma g - state lies 174/cm above the 3 Pi u ground state. The 1 Sigma g + state lies at least 2000/cm higher in energy. At the CPF level, inclusion of 2s and 2p correlation has little effect on D sub e, reduces T sub e by only 26/cm, and shortens the bond lengths by about 0.02 a sub o. Further strong support for a 3 Pi u ground state comes from the experimental absorption spectra, since both observed transitions can be convincingly assigned as 3 Pi u yields 3 Pi g. The (2) 3 Pi g state is observed to be sensitive to the level of correlation treatment, and to have its minimum shifted to shorter rho values, such that the strongest experimental absorption peak probably corresponds to the 0 yields 2 transition.

Bauschlicher, Charles W., Jr.↗

NASA NTRS1988

On the choice of the electron-electron potential in relativistic atomic physics

In the calculation of relativistic effects in the structure of many-electron atoms there are two popular choice for the operator V used to represent the electron-electron interaction. One of these, V(I), is associated with the use of the Coulomb gauge propagator for photons; the other, V(II), is associated with the use of the Feynman gauge propagator. In contrast to V(I), the nonperturbative use of V(II) leads to energy levels which are already incorrect in order (alpha exp 4)m. This fact provides a quantitative argument for preferring V(I) to V(II).

Sucher, J.↗

NASA NTRS1988

Oscillator strengths for Si II

New accurate results are presented for absorption oscillator strengths of Si II resonance lines. In these ab initio calculations, an extensive basis set of 67 electronic configuration are employed, including fine-structure states and relativistic effects in the Breit-Pauli approximation. For the strong Si II lines, good agreement is found with previous LS-coupling f-values of Dufton et al. (1983). Oscillator strengths of selected weaker lines disagree in some cases with empirically determined f-values by Shull, Snow, and York (1981) and by Van Buren (1986). The theoretical results are combined with curve-of-growth analyses of Copernicus and IUE data to yield a list of recommended Si II oscillator strengths consistent with the errors in both theoretical and observational analyses. These f-values have been used (Van Steenberg and Shull) for a Galactic survey of interstellar silicon abundances with the International Ultraviolet Explorer satellite.

Luo, Ding↗

NASA NTRS1989

Kinematic evidence for a relativistic Keplerian disk - Arp 102B

Line profiles were calculated for a Keplerian disk with allowance made for relativistic effects. Excellent agreement was found between the resulting double peaked asymmetric profiles and the H-alpha line of Arp 102B; this yielded an accurate determination of several disk parameters. It is believed that the line profile of Arp 102B shows the most convincing direct kinematic evidence for rotation in any AGN.

Chen, Kaiyou↗

NASA NTRS1989

X-ray spectroscopy of the ultrasoft transient 4U 1543 - 47

The X-ray transient 4U 1543 - 47 was observed in August 1983 by the Exosat observatory near the maximum of an outburst. The X-ray spectrum was measured using a gas scintillation proportional counter (GSPC) and a transmission grating spectrometer (TGS). A broad (FWHM about 2.7 keV) line at 5.9 keV is detected in the GSPC, which is interpreted as a redshifted and broadened iron K-alpha line. The line broadening and redshift may arise from either Compton scattering in a cool plasma with small optical depth and/or from Droppler and relativistic effects in the vicinity of compact object. The spectrum below 2 keV, obtained with the TGS, shows evidence for a broad emission feature at 0.74 keV, which may be an iron L-transition complex. However, such an emission feature could be an artifact caused by an anomalously low interstellar absorption by neutral oxygen. The contimuum emission is extremely soft and is well described by an unsaturated Comptonized spectrum from very cool plasma (kT = 0.84 keV) with large scattering depth.

Van Der Woerd, H.↗

NASA NTRS1989

Applied general relativity

Important relativistic effects and issues are discussed which must be considered in the interpretation of current measurements such as ranging measurements to LAGEOS and to the moon, in the implementation of the Global Positioning System, in the synchronization of clocks near the earth's surface, and in the adoption of appropriate scales of time and length for the communication of scientific results.

Ashby, Neil↗

NASA NTRS1989

Icarus lander

Icarus is one of the earth-crossing asteroids. It has a semi-major axis of 1.078 AU, giving it a period of 1.12 years, and an eccentricity of 0.827. The perihelion distance is thus 0.187 AU. The inclination of Icarus's orbit is 23 deg. Although it is a small body, it is still massive enough to be essentially immune to non-gravitational forces. These orbital and physical qualities make it an attractive target for testing General Relativity. The close passage to the sun means that it will be subject to a large relativistic perihelion precession; the high eccentricity makes the precession easy to measure; the high inclination allows the solar quadrupole moment (J sub 2) to be simultaneously determined via the nodal precession it predicts. The degeneracy between the relativistic effect and the effect of J sub 2 in the perihelion precession may thus be broken. Results are presented from a preliminary study of a possible trajectory design for an Icarus lander and from a covariance study of the scientific return to be expected from such a mission.

Hellings, Ronald W.↗

NASA NTRS1990

Electromagnetic fire-hose instability in a fully relativistic bi-Maxwellian plasma

Detailed properties of the classical hydromagnetic Alfven wave and the fire-hose instability, driven by an excess in the parallel energy are well understood in the nonrelativistic regime. In this brief communication, the analysis is extended to the fully relativistic regime. The analysis is carried out for fully relativistic bi-Maxwellian distributions of electrons and ions (or positrons). It is shown that the relativistic effect has a nonnegligible effect on the wave and stability properties of the low-frequency modes under certain conditions.

Yoon, Peter H.↗

NASA NTRS1990

The spectra of weakly magnetized neutron stars

The continuum spectrum of a rotating equatorial emitting region on the surface of an accreting neutron star is investigated within the Schwarzschild spacetime. It is found that the dominant general relativistic effect is the increase in apparent emission area from the neutron star surface due to gravitational light bending. For typical neutron star parameters, the apparent area of the accretion belt is remarkably independent of the viewing angle and, hence, the contribution for a boundary layer to the total X-ray luminosity is found to depend only weakly on the inclination angle of the binary system. For a blackbody spectrum in the local rest frame of the emitting surface, the distortion of the spectral shape by longitudinal and transverse Doppler shifts is minimal for neutron stars rotating at periods greater than about 2 ms. It is shown that the failure to detect a blackbody component from the weakly magnetized neutron star surface in some X-ray burst sources during their quiescent state may be related to the presence of temperature variations along the vertical extent of the boundary layer.

Fu, Albert↗

NASA NTRS1990

Magnetic field distribution in polar cap models of gamma-ray bursters

The high-energy spectral cutoffs are discussed as a function of angle predicted by magnetized polar cap models of gamma-ray bursters, in the presence of magnetic pair production and general relativistic effects. The effect of the photon escape beam shape on the relative probability of detection as a function of energy is calculated for a range of model parameters. These predictions are compared to the burster cutoff upper limits observed with SMM and are used to derive constraints on the detectable magnetic field strength distribution among bursters from future observations. A method for determining the intrinsic magnetic field distribution among gamma-ray bursting neutron stars is discussed.

Bagoly, Z.↗

NASA NTRS1991

A relativistic model of pulsar polarization

The rotating vector model of pulsar polarization of Radhakrishnan and Cooke (1969) is extended here to include first-order special relativistic effects. The model predicts that the centroid of the position angle curve arrives later than the centroid of the intensity profile by 4r/c, where r is the emission radius. Application of the model to pulsars with well ordered position-angle swings and periods between 0.06 and 3.7 s give emission radii of not more than 2000 km for 0.43 and 1.4 GHz. Symmetry-breaking effects of the corotation velocity may help explain a general asymmetry found in pulsar intensity profiles and may strongly affect the intensity profiles of short-period pulsars.

Blaskiewicz, M.↗

NASA NTRS1991

Near-critical spherical accretion by neutron stars - General relativistic treatment

Time-independent spherical accretion by a neutron star is studied using general relativistic radiation hydrodynamics. Numerical integrations of the flow equations are presented. These show that when the luminosity is sufficiently close to (but below) the Eddington limit, the flow velocity increases with decreasing radius far from the neutron star, reaches a maximum at an intermediate radius, and decreases at small radii. A large fraction of the binding energy of the flow is transferred to the radiation through scattering before the flow strikes the surface of the neutron star. Following Miller's treatment of accretion at luminosites near the Eddington limit (which neglected general relativistic effects), analytic approximations for the decelerating phase of the flow's velocity profile are derived. The dependence of the solutions on the variable Eddington factor prescription chosen to close the radiation moment equations is also examined.

Park, Myeong-Gu↗

NASA NTRS1991

Steady spherical hypercritical accretion onto neutron stars

The present study of hypercritical accretion flows onto neutron stars considers steady-state, spherically symmetric flows whose accretion rate range is characterized by the carrying away of gravitational-accretion energy by neutrinos. The models used encompass pair production, radiation diffusion, and general relativistic effects. While pair pressure dominates throughout the accretion envelope when accretion rates above about 100 solar masses/yr, radiation diffusion becomes important when the accretion rate falls below about 0.001 solar masses/yr. At the lower accretion rates, free fall toward the neutron-star surface stops and an extended, quasi-static, radiation pressure-supported envelope emerges which is probably dynamically unstable.

Houck, John C.↗

NASA NTRS1991

Diskoseismology: Probing accretion disks. I - Trapped adiabatic oscillations

The normal modes of acoustic oscillations within thin accretion disks which are terminated by an innermost stable orbit around a slowly rotating black hole or weakly magnetized compact neutron star are analyzed. The dominant relativistic effects which allow modes to be trapped within the inner region of the disk are approximated via a modified Newtonian potential. A general formalism is developed for investigating the adiabatic oscillations of arbitrary unperturbed disk models. The generic behavior is explored by way of an expansion of the Lagrangian displacement about the plane of symmetry and by assuming separable solutions with the same radial wavelength for the horizontal and vertical perturbations. The lowest eigenfrequencies and eigenfunctions of a particular set of radial and quadrupole modes which have minimum motion normal for the plane are obtained. These modes correspond to the standard dispersion relation of disk theory.

Nowak, Michael A.↗