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Relativistic effects on the bonding and properties of the hydrides of platinum

The ground state of PtH2 and several low-lying states of PtH(+) and PtH have been studied at the all-electron self-consistent-field level of theory to examine the importance of relativistic effects. The results of calculations based on Dirac-Hartree-Fock theory, nonrelativistic theory, and the spin-free no-pair relativistic approximation of Hess are compared to separate the effects of the spin-free terms and the spin-orbit terms of the Hamiltonian on the relativistic corrections to the molecular properties. Comparison is also made between first-order perturbation theory including the one-electron spin-free terms and the method of Hess to determine the size of effects beyond first order. It is found that the spin-orbit interaction significantly affects the properties and energetics of these molecules because of the participation of the Pt 5d orbitals in the bonding, and that effects beyond first order in perturbation theory are large. Any treatment of Pt compounds will have to include both the spin-free and spin-orbit interactions for an accurate description.

Dyall, Kenneth G.↗

Relativistic Effects Around Black Holes: Smearing Absorption Edges

Broad iron absorption structures have been observed in the X-ray spectra of both AGNs and black hole X-ray binaries (BHXBs). A correctly modeled absorption structure can reveal the physical condition of the source, help to determine the continuum spectra and thus help to estimate other spectral lifes more accurately. The absorption structures are usually thought to be caused by the reflection of X-rays by the accretion disks around the central black holes, and the broadening can be a ttributed to the ionization states of the disk and relativistic effects.

Zhang, X. L.↗

Relativistic effects in astronomical timing measurements

In this paper the relativistic transformations that are necessary to transform the results of earth-based astronomical timing observations from the terrestrial frame in which the observations are made to the proper frame of the astronomical object being observed are derived. Two coordinate systems are considered, the first being the parametrized post-Newtonian coordinate system and the second being a coordinate system based on the use of temps dynamique barycentrique as a time coordinate. Effects due to propagation of signals through curved spacetime and due to the relativistic gravitational time dilation for the earth are derived in each system. The results are then applied to three modern accurate data types spacecraft ranging, pulsar timing, and VLBI. A new effect is found in the analysis of VLBI data, amounting to a rescaling of VLBI-determined baselines produced by the curvature of space in the neighborhood of the sun.

Hellings, R. W.↗

Relativistic effects of the rotation of the earth on remote clock synchronization

A treatment is given of relativistic clock synchronization effects due to the rotation of the earth. Unlike other approaches, the point of view of an earth fixed coordinate system is used which offers insight to many problems. An attempt is made to give the reader an intuitive grasp of the subject as well as to provide formulae for his use. Specific applications to global timekeeping, navigation, VLBI, relativistic clock experiments, and satellite clock synchronization are discussed. The question of whether atomic clocks are ideal clocks is also treated.

Reinhardt, V.↗

Atomic electron energies including relativistic effects and quantum electrodynamic corrections

Atomic electron energies have been calculated relativistically. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all orbitals in all atoms with 2 less than or equal to Z less than or equal to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. These results will serve for detailed comparison of calculations based on other approaches. The magnitude of quantum electrodynamic corrections is exhibited quantitatively for each state.

Aoyagi, M.↗

The Nustar Spectrum of Mrk 335: Extreme Relativistic Effects Within Two Gravitational Radii of the Event Horizon?

We present 3-50 keV NuSTAR observations of the active galactic nuclei Mrk 335 in a very low flux state. The spectrum is dominated by very strong features at the energies of the iron line at 5-7 keV and Compton hump from 10-30 keV. The source is variable during the observation, with the variability concentrated at low energies, which suggesting either a relativistic reflection or a variable absorption scenario. In this work, we focus on the reflection interpretation, making use of new relativistic reflection models that self consistently calculate the reflection fraction, relativistic blurring and angle-dependent reflection spectrum for different coronal heights to model the spectra. We find that the spectra can be well fitted with relativistic reflection, and that the lowest flux state spectrum is described by reflection alone, suggesting the effects of extreme light-bending occurring within approx. 2 gravitational radii (RG) of the event horizon. The reflection fraction decreases sharply with increasing flux, consistent with a point source moving up to above 10 RG as the source brightens. We constrain the spin parameter to greater than 0.9 at the 3(sigma) confidence level. By adding a spin-dependent upper limit on the reflection fraction to our models, we demonstrate that this can be a powerful way of constraining the spin parameter, particularly in reflection dominated states. We also calculate a detailed emissivity profile for the iron line, and find that it closely matches theoretical predictions for a compact source within a few RG of the black hole.

galaxies: active aEuro" galaxies: individual: Mrk ↗

Prospects for observations of relativistic effects in the solar system

In this paper the authors concentrate on an experiment that promises a dramatic improvement in a classical test of general relativity - the deflection of light by solar gravity. The goal is to measure the post-post-Newtonian contribution of nearly 11 microarcseconds to this deflection. The proposed technique is based on use of an astrometric optical interferometer, POINTS, which could be operated from the bay of the Space Shuttle, mounted on the proposed Space Station, or supported by an independent spacecraft. POINTS should be able to measure the separation of stars about 90 deg apart with an uncertainty of only a few microarcseconds.

Reasenberg, R. D.↗

The Case for General Relativistic Effects in the Fe K(alpha) Profile of an Active Galaxy

We present results from a simultaneous Chandra HETG (High Energy Transmission Grating) and XMM (X-ray Multi-mirror Mission)-Newton observation of NGC 3516. We find evidence for several narrow components of Fe K(alpha) along with a broad line. We consider the possibility that the lines arise in a blob of material ejected from the nucleus with velocity of approximately 0.25c. We also consider an origin in a neutral accretion disk, suffering enhanced illumination at 35 and 175 R(sub g), perhaps due to magnetic reconnection. The presence of these narrow features indicates there is no Comptonizing region along the line-of-sight to the nucleus. This in turn is compelling support for the hypothesis that broad Fe K(alpha) components are, in general, produced by strong gravity.

Turner, T. J.↗

Finite nucleus effects on relativistic energy corrections

The effect of using a finite nucleus model in quantum-chemical calculations is examined. Relativistic corrections from the first order Foldy-Wouthuysen terms are affected indirectly by the change in wavefunction, but also directly as a result of revised expressions for the Darwin and spin-orbit terms due to the change in nuclear potential. A calculation for the Rn atom indicates that the mass-velocity and Darwin corrections are much more sensitive to the finite nucleus than the non-relativistic total energy, but that the total contribution for these two terms is quite stable provided the revised form of the Darwin term is used. The spin-orbit interaction is not greatly affected by the choice of nuclear model.

Dyall, Kenneth G.↗

Relativistic and Correlation Effects in CuH, AgH and AuH: Comparison of Various Relativistic Methods

The effects of relativity on the bond lengths, dissociation energies, and harmonic vibrational frequencies of the 1Epsilon(+) electronic ground states of the group IB hydrides CuH, AgH and AuH have been evaluated with a variety of ab initio methods. These properties were investigated with moderately-sized basis sets at the self-consistent field Hartree Fock (SCF HF) level and with second-order Moller-Plesset (MP2) perturbation theory for electron correlation. Comparisons were made between all-electron results using the nonrelativistic Hamiltonian, perturbation theory (PT) at first-order with only the one-electron non-fine structure terms of the Breit-Pauli Hamiltonian, the spin-free Douglas-Kroll (DK) transformed Dirac Hamiltonian and the untransformed Dirac Hamiltonian, and results using two sets of relativistic effective core potentials (RECPs). The expected trends of bond length decrease, dissociation energy increase and harmonic frequency increase with both relativity and correlation are found. Both sets of RECPs are shown to give good results, if accompanied by a reasonable basis set. The DK method is demonstrated to be an inexpensive, reliable approximation to the DHF method.

Collins, Charlene L.↗

Auroral kilometric radiation - An example of relativistic wave-particle interaction in geoplasma

The earth's auroral kilometric radiation (AKR) is believed to be produced by the electron-cyclotron maser instability. This instability is the result of a wave-particle interaction in which relativistic effects are crucial. An explanation is given as to how these relativistic effects alter the shape of the resonance curve in velocity space and modify the R - X mode wave dispersion near the electron cyclotron frequency compared to the results obtained in the nonrelativistic limit and from cold-plasma theory. The properties of the cyclotron maser instability in a driven system are illustrated using two-dimensional electromagnetic particle simulations which incorporate a continual flow of primary energetic electrons along the magnetic field.

Pritchett, P. L.↗