3,476 research outputs found
Theoretical optical and x-ray spectra of liquid and solid H_2O
Theoretical optical and x-ray spectra of model structures of water and ice
are calculated using a many-body perturbation theory, Bethe-Salpeter equation
(BSE) approach implemented in the valence- and core-excitation codes AI2NBSE
and OCEAN. These codes use ab initio density functional theory wave functions
from a plane-wave, pseudopotential code, quasi-particle self energy
corrections, and a BSE treatment of particle-hole interactions. The approach
improves upon independent-particle methods through the inclusion of a complex,
energy-dependent self energy and screened particle-hole interactions to account
for inelastic losses and excitonic effects. These many-body effects are found
to be crucial for quantitative calculations of ice and water spectra
MUSTANG 3.3 Millimeter Continuum Observations of Class 0 Protostars
We present observations of six Class 0 protostars at 3.3 mm (90 GHz) using
the 64-pixel MUSTANG bolometer camera on the 100-m Green Bank Telescope. The
3.3 mm photometry is analyzed along with shorter wavelength observations to
derive spectral indices (S_nu ~ nu^alpha) of the measured emission. We utilize
previously published dust continuum radiative transfer models to estimate the
characteristic dust temperature within the central beam of our observations. We
present constraints on the millimeter dust opacity index, beta, between 0.862
mm, 1.25 mm, and 3.3 mm. Beta_mm typically ranges from 1.0 to 2.4 for Class 0
sources. The relative contributions from disk emission and envelope emission
are estimated at 3.3 mm. L483 is found to have negligible disk emission at 3.3
mm while L1527 is dominated by disk emission within the central beam. The
beta_mm^disk <= 0.8 - 1.4 for L1527 indicates that grain growth is likely
occurring in the disk. The photometry presented in this paper may be combined
with future interferometric observations of Class 0 envelopes and disks.Comment: 19 pages, 3 figures, AJ accepted, in pres
The Struggle to Make Ends Meet: Teen Employment and the 1996 Federal Welfare Legislation
This study investigates the possibility that teens in more economically-disadvantaged families may have entered the labor market in response to the 1996 welfare legislation that replaced AFDC with TANF. Data are from the outgoing rotation groups of the Current Population Survey (CPS) from September 1995-May 1996 (pre-TANF) and from September 2000-May 2001 (post-TANF). To identify the policy\u27s effect, we compare changes in the employment of teens in economically-disadvantaged families over the study period with changes in the employment of their more advantaged counterparts (a difference-in-difference methodology). We find that teen employment significantly increased among those in economically-disadvantaged families relative to their more-advantaged counterparts, even after controlling for macroeconomic conditions, among other factors. Our results suggest that TANF\u27s pro-employment effects go beyond the effects previously identified for single mothers
Bethe-Salpeter Equation Calculations of Core Excitation Spectra
We present a hybrid approach for GW/Bethe-Salpeter Equation (BSE)
calculations of core excitation spectra, including x-ray absorption (XAS),
electron energy loss spectra (EELS), and non-resonant inelastic x-ray
scattering (NRIXS). The method is based on {\it ab initio} wavefunctions from
the plane-wave pseudopotential code ABINIT; atomic core-level states and
projector augmented wave (PAW) transition matrix elements; the NIST core-level
BSE solver; and a many-pole GW self-energy model to account for final-state
broadening and self-energy shifts. Multiplet effects are also accounted for.
The approach is implemented using an interface dubbed OCEAN (Obtaining Core
Excitations using ABINIT and NBSE). To demonstrate the utility of the code we
present results for the K-edges in LiF as probed by XAS and NRIXS, the K-edges
of KCl as probed by XAS, the Ti L_2,3-edge in SrTiO_3 as probed by XAS, and the
Mg L_2,3-edge in MgO as probed by XAS. We compare the results to experiments
and results obtained using other theoretical approaches
The Band-Gap Problem in Semiconductors Revisited: Effects of Core States and Many-Body Self-Consistency
A novel picture of the quasiparticle (QP) gap in prototype semiconductors Si
and Ge emerges from an analysis based on all-electron, self-consistent, GW
calculations. The deep-core electrons are shown to play a key role via the
exchange diagram --if this effect is neglected, Si becomes a semimetal.
Contrary to current lore, the Ge 3d semicore states (e.g., their polarization)
have no impact on the GW gap. Self-consistency improves the calculated gaps --a
first clear-cut success story for the Baym-Kadanoff method in the study of
real-materials spectroscopy; it also has a significant impact on the QP
lifetimes. Our results embody a new paradigm for ab initio QP theory
Exciton spectroscopy of hexagonal boron nitride using non-resonant x-ray Raman scattering
We report non-resonant x-ray Raman scattering (XRS) measurements from
hexagonal boron nitride for transferred momentum from 2 to 9
along directions both in and out of the basal plane. A
symmetry-based argument, together with real-space full multiple scattering
calculations of the projected density of states in the spherical harmonics
basis, reveals that a strong pre-edge feature is a dominantly -type
Frenkel exciton with no other \textit{s}-, \textit{p}-, or \textit{d}-
components. This conclusion is supported by a second, independent calculation
of the \textbf{q}-dependent XRS cross-section based on the Bethe-Salpeter
equation
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