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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7
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NASA NTRS1980

Relativistic K-LL Auger spectra in the intermediate-coupling scheme with configuration interaction

Theoretical K-LL Auger spectra from relativistic Dirac-Hartree-Slater calculations in intermediate coupling with configuration interaction (ICWCI) are considered. Calculated transition rates for 25 elements with Z between 18 and 96, inclusive, are listed and compare well with experimental data. Relativistic effects are found to be important above Z equal to about 35, and ICWCI is necessary to describe the spectra for Z less than about 60.

Chen, M. H.↗
NASA NTRS1980

Relativistic scattered wave calculations on UF6

Self-consistent Dirac-Slater multiple scattering calculations are presented for UF6. The results are compared critically to other relativistic calculations, showing that the results of all molecular orbital calculations are in qualitative agreement, as measured by energy levels, population analyses, and spin-orbit splittings. A detailed comparison is made to the relativistic X alpha(RX alpha) method of Wood and Boring, which also uses multiple scattering theory, but incorporates relativistic effects in a more approximate fashion. For the most part, the RX alpha results are in agreement with the present results.

Case, D. A.↗
NASA NTRS1980

Quasi-projection-operator calculation of autoionization states of O5/+/ /O VI/ and Si11/+/ /Si XII/

A practical approach to calculating diagnostic parameters includes both scattering and statelike (autoionization) elements. The paper presents inelastic quasi-projection-operator calculations of autoionization states of the three-electron ions of oxygen and silicon for states below the n = 3 manifod of the respective two-electron parent (O VI and Si XII). Wave functions containing up to 40 configurations are calculated. The O VI calculated results agree with experimental results within the experimental error (about + or - 2 eV) while for the Si XII case, it was necessary to include relativistic effects. Where formulas are available (states for which p + q = 2), the Si XII results are also in good agreement with experimental results for 2Se, 2Po, and 2De states. Since the calculated results for some of the higher states did not agree with identifications proposed by Trabert et al. (1979), alternative identifications are suggested.

Wakid, S.↗
NASA NTRS1980

X-ray variability in active galaxy nuclei and quasars in less than one day

Data obtained from the Einstein Observatory demonstrating variations in X-ray emission from the nuclei of active galaxies and quasars on time scales of hours rather than previously observed days or years is presented. Light curves obtained from the Einstein imaging proportional counter for the Seyfert 1 galaxy NGC 6814 and from the High Resolution Imager for the quasars OX 169 and 3C 273 are illustrated, and variations by factors greater than two on time scales less than 20,000 sec for the first two objects and by a factor of 10% on a time scale over 50,000 sec for 3C 273 are pointed out. The measurements are also used to determine that thermal bremsstrahlung cannot be the cause of the intensity decay in OX 169, and that, in the absence of relativistic effects, the efficiency for energy release in the matter involved in the emission of 3C 273 is at least 0.1.

Elvis, M.↗
NASA NTRS1981

Neutron star evolution and results from the Einstein X-ray Observatory

The evolution of neutron stars is reexamined using current knowledge of their structure and the available microphysics, including general relativistic effects, improved opacities, and cooling by the emission of neutrinos from a pion condensate or from free quarks. Theoretical cooling curves are compared with observations performed with the Einstein X-ray Observatory. It is found that current soft X-ray observations of pulsars and young supernova remnants do not require stars with a pion condensate or free quarks.

Van Riper, K. A.↗
NASA NTRS1981

Estimation of solar gravitational harmonics with Starprobe radiometric tracking data

The potential gravitational science return of a proposed spacecraft mission, called Starprobe, is investigated. The current mission plan is to place a spacecraft in a highly eccentric, highly inclined solar orbit with a perihelion distance of four solar radii. A covariance analysis based on Kalman filtering theory is performed to predict the accuracies with which gravitational parameters associated with the nonsphericity of the sun and relativistic effects can be estimated with radiometric tracking data. The accuracies are computed as functions of the quality and quantity of the radiometric data, the orbital parameters, the magnitude and character of the nongravitational accelerations acting on the spacecraft, and the errors in the tracking station locations and the ephemeris of the earth relative to the sun.

Mease, K. D.↗
NASA NTRS1982

Long term frequency stability analysis of the GPS NAVSTAR 6 Cesium clock

Time domain measurements, taken between the NAVSTAR 6 Spacecraft Vehicle (SV) and the Vandenberg Global Positioning System (GPS) Monitor Site, by a pseudo random noise receiver, were collected over an extended period of time and analyzed to estimate the long term frequency stability of the NAVSTAR 6 onboard frequency standard, referenced to the Vandenberg MS frequency standard. The technique employed separates the clock offset from the composite signal by first applying corrections for equipment delays, ionospheric delay, tropospheric delay, Earth rotation and the relativistic effect. The data are edited and smoothed using the predicted SV ephemeris to calculate the geometric delay. Then all available passes from each of the four GPS monitor stations, are collected at 1-week intervals and used to calculate the NAVSTAR orbital elements. The procedure is then completed by subtracting the corrections and the geometric delay, using the final orbital elements, from the composite signal, thus leaving the clock offset and random error.

Mccaskill, T. B.↗
NASA NTRS1982

Quantum chemical calculations for polymers and organic compounds

The relativistic effects of the orbiting electrons on a model compound were calculated. The computational method used was based on 'Modified Neglect of Differential Overlap' (MNDO). The compound tetracyanoplatinate was used since empirical measurement and calculations along "classical" lines had yielded many known properties. The purpose was to show that for large molecules relativity effects could not be ignored and that these effects could be calculated and yield data in closer agreement to empirical measurements. Both the energy band structure and molecular orbitals are depicted.

Lopez, J.↗
NASA NTRS1982

On correlation in the first row transition metal atoms

CI (SD) calculations using both SCF and MCSCF references have been performed for the first-row transition metal atoms. Basis sets as large as 84 STO's have been used. At the highest level of calculation, good agreement with experiment is found. If relativistic effects are considered, the agreement is somewhat poorer. This aspect, as well as the trends and results, is discussed.

Bauschlicher, C. W., Jr.↗
NASA NTRS1982

Tests of general relativity using Starprobe radio metric tracking data

The potential of a proposed spacecraft mission, called Starprobe, for testing general relativity and providing information on the interior structure and dynamics of the sun is investigated. Parametric, gravitational perturbation terms are derived which represent relativistic effects and effects due to spatial and temporal variations in the solar potential at a given radial distance. A covariance analysis based on Kalman filtering theory predicts the accuracies with which the free parameters in the perturbation terms can be estimated with radio metric tracking data through the process of trajectory reconstruction. It is concluded that Starprobe can contribute significant information on both the nature of gravitation and the structure and dynamics of the solar interior.

Mease, K. D.↗
NASA NTRS1982

New results from the Viking relativity experiment

The predicted general relativistic effect of solar gravity on the round-trip times of electromagnetic signals traveling between earth and Mars has been verified by means of radio ranging to the Viking spacecraft. The ranging measurements were found to be consistent with the predicted increases of up to 200 microsec in the travel times of the signals to within the estimated uncertainty of 0.2%.

Reasenberg, R. D.↗
NASA NTRS1983

NAVEX: A space shuttle experiment with atomic clocks

A navigation and time transfer experiment (NAVEX) to be flown within the payload of the first German Spacelab mission D-1 is discussed. The objectives of the experiment are to synchronize distant ground stations with an accuracy of better than 10 nsec and to demonstrate one way ranging with an accuracy of better than 30 m. Spread spectrum signals are used and the related technique is tested. On board a Cs and a Rb clock is used. The relativistic effect of these clocks is about -25 microsec per day. On the ground at least two receiving stations and one transmitting-receiving station will be installed. The synchronization of the ground clocks by shuttle signals is compared to those achieved with clock transportations and with GPS measurements. A system description of this experiment is given containing details on the technical concept, the hardware and the planned data evaluation. The present state of the preparatory work is briefly reviewed.

Starker, S.↗
NASA NTRS1983

Radiationless transitions to atomic M 1,2,3 shells - Results of relativistic theory

Radiationless transitions filling vacancies in atomic M1, M2, and M3 subshells have been calculated relativistically with Dirac-Hartree-Slater wave functions for ten elements with atomic numbers 67-95. Results are compared with those of nonrelativistic calculations and experiment. Relativistic effects are found to be significant. Limitations of an independent-particle model for the calculation of Coster-Kronig rates are noted.

Chen, M. H.↗
NASA NTRS1984

Relativistic dispersion and the generation of auroral kilometric radiation

Under the conditions at which auroral kilometric radiation (AKR) is known to be produced by a plasma sheet electron region, relativistic effects of the dispersion of extraordinary-mode waves near the electron cyclotron frequency are found to be very significant. The application of linear theory and computer simulation to a model distribution indicates that an extraordinary mode of a particular Reynolds number dominated the radiation emission due to the cyclotron maser instability, suggesting that hot electrons determine the propagation characteristics of AKR and that larger growth rates are possible for direct amplification of extraordinary waves in the auroral region than had been predicted by calculations employing cold plasma dispersion.

Pritchett, P. L.↗
NASA NTRS1985

The cyclotron maser theory of AKR and Z-mode radiation

The cyclotron maser mechanism which may be responsible for the generation of auroral kilometric radiation and Z-mode radiation is discussed. Emphasis is placed on the basic concepts of the cyclotron maser theory, particularly the relativistic effect of the cyclotron resonance condition. Recent development of the theory is reviewed. Finally, the results of a computer simulation study which helps to understand the nonlinear saturation of the maser instability are reported.

Wu, C. S.↗
NASA NTRS1986

On the applicability of relativistic dispersion to auroral zone electron distributions

An examination is made to identify appropriate times to include weakly relativistic wave dispersion in calculations of auroral zone electron distributions. Two dispersion relations are examined. First, solutions are found for a ring distribution of particles around a cold ambient plasma. The solutions are found only for modes near the electron gyrofrequency. A trapped mode which is decoupled from the freely propagating R-X mode of cold plasmas is found to be the most unstable mode. Wave dispersion is examined with a spherically symmetric Dory-Guest-Harris (DGH) distribution, which describes a shell distribution that has a peak momentum larger than the thermal spread. The trapped mode is again found to be the most unstable. The analysis indicates it is beneficial to include relativistic effects whenever calculating auroral plasma distributions, and that a simple model will have sufficient accuracy.

Strangeway, R. J.↗
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.↗