Gaussian polarizable-ion tight binding

To interpret ultrafast dynamics experiments on large molecules, computer simulation is required due to the complex response to the laser field. We present a method capable of efficiently computing the static electronic response of large systems to external electric fields. This is achieved by extending the density-functional tight binding method to include larger basis sets and by multipole expansion of the charge density into electrostatically interacting Gaussian distributions. Polarizabilities for a range of hydrocarbon molecules are computed for a multipole expansion up to quadrupole order, giving excellent agreement with experimental values, with average errors similar to those from density functional theory, but at a small fraction of the cost. We apply the model in conjunction with the polarizable-point-dipoles model to estimate the internal fields in amorphous poly(3-hexylthiophene-2,5-diyl)

Iron K Lines from Gamma Ray Bursts

We present models for reprocessing of an intense flux of X-rays and gamma rays expected in the vicinity of gamma ray burst sources. We consider the transfer and reprocessing of the energetic photons into observable features in the X-ray band, notably the K lines of iron. Our models are based on the assumption that the gas is sufficiently dense to allow the microphysical processes to be in a steady state, thus allowing efficient line emission with modest reprocessing mass and elemental abundances ranging from solar to moderately enriched. We show that the reprocessing is enhanced by down-Comptonization of photons whose energy would otherwise be too high to absorb on iron, and that pair production can have an effect on enhancing the line production. Both "distant" reprocessors such as supernova or wind remnants and "nearby" reprocessors such as outer stellar envelopes can reproduce the observed line fluxes with Fe abundances 30-100 times above solar, depending on the incidence angle. The high incidence angles required arise naturally only in nearby models, which for plausible values can reach Fe line to continuum ratios close to the reported values.Comment: 37 pages, 10 figures. Ap. J in pres

Gamma Rays from Compton Scattering in the Jets of Microquasars: Application to LS 5039

Recent HESS observations show that microquasars in high-mass systems are sources of VHE gamma-rays. A leptonic jet model for microquasar gamma-ray emission is developed. Using the head-on approximation for the Compton cross section and taking into account angular effects from the star's orbital motion, we derive expressions to calculate the spectrum of gamma rays when nonthermal jet electrons Compton-scatter photons of the stellar radiation field. Calculations are presented for power-law distributions of nonthermal electrons that are assumed to be isotropically distributed in the comoving jet frame, and applied to $\gamma$-ray observations of LS 5039. We conclude that (1) the TeV emission measured with HESS cannot result only from Compton-scattered stellar radiation (CSSR), but could be synchrotron self-Compton (SSC) emission or a combination of CSSR and SSC; (2) fitting both the HESS data and the EGRET data associated with LS 5039 requires a very improbable leptonic model with a very hard electron spectrum. Because the gamma rays would be variable in a leptonic jet model, the data sets are unlikely to be representative of a simultaneously measured gamma-ray spectrum. We therefore attribute EGRET gamma rays primarily to CSSR emission, and HESS gamma rays to SSC emission. Detection of periodic modulation of the TeV emission from LS 5039 would favor a leptonic SSC or cascade hadron origin of the emission in the inner jet, whereas stochastic variability alone would support a more extended leptonic model. The puzzle of the EGRET gamma rays from LS 5039 will be quickly solved with GLAST. (Abridged)Comment: 17 pages, 11 figures, ApJ, in press, June 1, 2006, corrected eq.

Flash-Heating of Circumstellar Clouds by Gamma Ray Bursts

The blast-wave model for gamma-ray bursts (GRBs) has been called into question by observations of spectra from GRBs that are harder than can be produced through optically thin synchrotron emission. If GRBs originate from the collapse of massive stars, then circumstellar clouds near burst sources will be illuminated by intense gamma radiation, and the electrons in these clouds will be rapidly scattered to energies as large as several hundred keV. Low-energy photons that subsequently pass through the hot plasma will be scattered to higher energies, hardening the intrisic spectrum. This effect resolves the "line-of-death" objection to the synchrotron shock model. Illuminated clouds near GRBs will form relativistic plasmas containing large numbers of electron-positron pairs that can be detected within ~ 1-2 days of the explosion before expanding and dissipating. Localized regions of pair annihilation radiation in the Galaxy would reveal past GRB explosions.Comment: 9 pages, 1 figure, submitted to ApJ Letter

Quasi-thermal Comptonization and gamma-ray bursts

Quasi-thermal Comptonization in internal shocks formed between relativistic shells can account for the high energy emission of gamma-ray bursts. This is in fact the dominant cooling mechanism if the typical energy of the emitting particles is achieved either through the balance between heating and cooling or as a result of electron-positron pair production. Both processes yield sub or mildly relativistic energies. In this case the synchrotron spectrum is self-absorbed, providing the seed soft photons for the Comptonization process, whose spectrum is flat [F(v) ~ const], ending either in an exponential cutoff or a Wien peak, depending on the scattering optical depth of the emitting particles. Self-consistent particle energy and optical depth are estimated and found in agreement with the observed spectra.Comment: 10 pages, ApJ Letters, accepted for publicatio

Self-Organized Criticality in Compact Plasmas

Compact plasmas, that exist near black-hole candidates and in gamma ray burst sources, commonly exhibit self-organized non-linear behavior. A model that simulates the non-linear behavior of compact radiative plasmas is constructed directly from the observed luminosity and variability. The simulation shows that such plasmas self organize, and that the degree of non-linearity as well as the slope of the power density spectrum increase with compactness. The simulation is based on a cellular automaton table that includes the properties of the hot (relativistic) plasmas, and the magnitude of the energy perturbations. The plasmas cool or heat up, depending on whether they release more or less than the energy of a single perturbation. The energy release depends on the plasmas densities and temperatures, and the perturbations energy. Strong perturbations may cool the previously heated plasma through shocks and/or pair creation. New observations of some active galactic nuclei and gamma ray bursters are consistent with the simulationComment: 9 pages, 5 figures, AASTeX, Submitted to ApJ

Long-Term X-ray Spectral Variability in Seyfert 1 Galaxies

Direct time-resolved spectral fitting has been performed on continuous RXTE monitoring of seven Seyfert 1 galaxies in order to study their broadband spectral variability and Fe K alpha variability characteristics on time scales of days to years. Variability in the Fe K alpha line is not detected in some objects but is present in others, e.g., in NGC 3516, NGC 4151 and NGC 5548 there are systematic decreases in line flux by factors of ~2-5 over 3-4 years. The Fe K alpha line varies less strongly than the broadband continuum, but, like the continuum, exhibits stronger variability towards longer time scales. Relatively less model-dependent broadband fractional variability amplitude (Fvar) spectra also show weaker line variability compared to the continuum variability. Comparable systematic long-term decreases in the line and continuum are present in NGC 5548. Overall, however, there is no evidence for correlated variability between the line and continuum, severely challenging models in which the line tracks continuum variations modified only by a light-travel time delay. Local effects such as the formation of an ionized skin at the site of line emission may be relevant. The spectral fitting and Fvar spectra both support spectral softening as continuum flux increases.Comment: Accepted for publication in ApJ. 29 page

Can there be neutrino oscillation in Gamma-Ray Bursts fireball ?

The central engine which powers the Gamma-Ray Burst (GRB) fireball, produces neutrinos in the energy range of about 5-20 MeV. Fractions of these neutrinos may propagate through the fireball which is far away from the central engine. We have studied the propagation of these neutrinos through the fireball which is contaminated by baryons and have shown that, resonant conversion of neutrinos are possible for the oscillations of nu_e to nu_{mu,tau}, nu_e to nu_s and anti-nu_(mu,tou) to anti-nu_s if the neutrino mass square difference and mixing angle are in the atmospheric and/or LSND range. On the other hand it is probably difficult for neutrinos to have resonant oscillation if the neutrino parameters are in the solar neutrino range. From the resonance condition we have estimated the fireball temperature and the baryon load in it.Comment: 4 pages, two column text, To be published in Phys. Rev.

EXITE2 Observation of the SIGMA Source GRS 1227+025

We report the EXITE2 hard X-ray imaging of the sky around 3C273. A 2h observation on May 8, 1997, shows a $\sim$260 mCrab source detected at $\sim4\sigma$ in each of two bands (50-70 and 70-93 keV) and located $\sim$30' from 3C273 and consistent in position with the SIGMA source GRS1227+025. The EXITE2 spectrum is consistent with a power law with photon index 3 and large low energy absorption, as indicated by the GRANAT/SIGMA results. No source was detected in more sensitive followup EXITE2 observations in 2000 and 2001 with 3$\sigma$ upper limits of 190 and 65 mCrab, respectively. Comparison with the flux detected by SIGMA shows the source to be highly variable, suggesting it may be non-thermal and beamed and thus the first example of a ``type 2'' (absorbed) Blazar. Alternatively it might be (an unprecedented) very highly absorbed binary system undergoing accretion disk instability outbursts, possibly either a magnetic CV, or a black hole X-ray nova.Comment: 12 pages, 4 figures, accepted for publication in Ap

Detecting Compton Reflection and a Broad Iron Line in MCG-5-23-16 with the Rossi X-ray Timing Explorer

We report the detection with the Rossi X-ray Timing Explorer of a Compton reflection signature in the Seyfert galaxy MCG-5-23-16. RXTE also resolves the Fe K-alpha fluorescence line with FWHM ~48,000 km s^{-1}. This measurement provides the first independent confirmation of ASCA detections in Seyfert galaxies of broad Fe K-alpha lines that are thought to be the signature of emission from the inner regions of an accretion disk orbiting a black hole. Under the assumption that reflection arises from an isotropic source located above a neutral accretion disk, and using a theoretical model that accounts for the dependence of the reflected spectrum on inclination angle, we derive a 90% confidence range for the disk inclination of i = 50 to 81 degrees. The large inclination is consistent with that expected from the unified model for MCG-5-23-16 based on its Seyfert 1.9 classification. If we assume that the high-energy cutoff in the incident spectrum lies at energies larger than a few hundred keV, then the equivalent width of the Fe K-alpha line is much larger than predicted for the amount of reflection. This implies either an enhanced iron abundance, a covering factor of reflecting material > 0.5, or a cutoff in the incident spectrum at energies between ~60 and ~200 keV.Comment: Accepted for publication in ApJ, LaTeX. 14 pages including 3 figures, with 1 table as a separate postscript file. Typo corrected in abstrac