4,357 research outputs found
Excitations in time-dependent density-functional theory
An approximate solution to the time-dependent density functional theory
(TDDFT) response equations for finite systems is developed, yielding
corrections to the single-pole approximation. These explain why allowed
Kohn-Sham transition frequencies and oscillator strengths are usually good
approximations to the true values, and why sometimes they are not. The
approximation yields simple expressions for G\"orling-Levy perturbation theory
results, and a method for estimating expectation values of the unknown
exchange-correlation kernel.Comment: 4 pages, 1 tabl
Raman Adiabatic Transfer of Optical States
We analyze electromagnetically induced transparency and light storage in an
ensemble of atoms with multiple excited levels (multi-Lambda configuration)
which are coupled to one of the ground states by quantized signal fields and to
the other one via classical control fields. We present a basis transformation
of atomic and optical states which reduces the analysis of the system to that
of EIT in a regular 3-level configuration. We demonstrate the existence of dark
state polaritons and propose a protocol to transfer quantum information from
one optical mode to another by an adiabatic control of the control fields
Binary pattern tile set synthesis is NP-hard
In the field of algorithmic self-assembly, a long-standing unproven
conjecture has been that of the NP-hardness of binary pattern tile set
synthesis (2-PATS). The -PATS problem is that of designing a tile assembly
system with the smallest number of tile types which will self-assemble an input
pattern of colors. Of both theoretical and practical significance, -PATS
has been studied in a series of papers which have shown -PATS to be NP-hard
for , , and then . In this paper, we close the
fundamental conjecture that 2-PATS is NP-hard, concluding this line of study.
While most of our proof relies on standard mathematical proof techniques, one
crucial lemma makes use of a computer-assisted proof, which is a relatively
novel but increasingly utilized paradigm for deriving proofs for complex
mathematical problems. This tool is especially powerful for attacking
combinatorial problems, as exemplified by the proof of the four color theorem
by Appel and Haken (simplified later by Robertson, Sanders, Seymour, and
Thomas) or the recent important advance on the Erd\H{o}s discrepancy problem by
Konev and Lisitsa using computer programs. We utilize a massively parallel
algorithm and thus turn an otherwise intractable portion of our proof into a
program which requires approximately a year of computation time, bringing the
use of computer-assisted proofs to a new scale. We fully detail the algorithm
employed by our code, and make the code freely available online
Developments in Rare Kaon Decay Physics
We review the current status of the field of rare kaon decays. The study of
rare kaon decays has played a key role in the development of the standard
model, and the field continues to have significant impact. The two areas of
greatest import are the search for physics beyond the standard model and the
determination of fundamental standard-model parameters. Due to the exquisite
sensitivity of rare kaon decay experiments, searches for new physics can probe
very high mass scales. Studies of the k->pnn modes in particular, where the
first event has recently been seen, will permit tests of the standard-model
picture of quark mixing and CP violation.Comment: One major revision to the text is the branching ratio of KL->ppg,
based on a new result from KTeV. Several references were updated, with minor
modifications to the text. A total of 48 pages, with 28 figures, in LaTeX; to
be published in the Annual Review of Nuclear and Particle Science, Vol. 50,
December 200
Polaron Transport in the Paramagnetic Phase of Electron-Doped Manganites
The electrical resistivity, Hall coefficient, and thermopower as functions of
temperature are reported for lightly electron-doped Ca(1-x)La(x)MnO(3)(0 <= x
<= 0.10). Unlike the case of hole-doped ferromagnetic manganites, the magnitude
and temperature dependence of the Hall mobility for these compounds is found to
be inconsistent with small-polaron theory. The transport data are better
described by the Feynman polaron theory and imply intermediate coupling (alpha
\~ 5.4) with a band effective mass, m*~4.3 m_0, and a polaron mass, m_p ~ 10
m_0.Comment: 7 pp., 7 Fig.s, to be published, PR
Ab-initio angle and energy resolved photoelectron spectroscopy with time-dependent density-functional theory
We present a time-dependent density-functional method able to describe the
photoelectron spectrum of atoms and molecules when excited by laser pulses.
This computationally feasible scheme is based on a geometrical partitioning
that efficiently gives access to photoelectron spectroscopy in time-dependent
density-functional calculations. By using a geometrical approach, we provide a
simple description of momentum-resolved photoe- mission including multi-photon
effects. The approach is validated by comparison with results in the literature
and exact calculations. Furthermore, we present numerical photoelectron angular
distributions for randomly oriented nitrogen molecules in a short near infrared
intense laser pulse and helium-(I) angular spectra for aligned carbon monoxide
and benzene.Comment: Accepted for publication on Phys. Rev.
Impact of lightning-NO on eastern United States photochemistry during the summer of 2006 as determined using the CMAQ model
A lightning-nitrogen oxide (NO) algorithm is implemented in the Community Multiscale Air Quality Model (CMAQ) and used to evaluate the impact of lightning-NO emissions (LNO<sub>x</sub>) on tropospheric photochemistry over the United States during the summer of 2006. <br><br> For a 500 mole per flash lightning-NO source, the mean summertime tropospheric NO<sub>2</sub> column agrees with satellite-retrieved columns to within −5 to +13%. Temporal fluctuations in the column are moderately well simulated; however, the addition of LNO<sub>x</sub> does not lead to a better simulation of day-to-day variability. The contribution of lightning-NO to the model column ranges from &sim;10% in the northern US to >45% in the south-central and southeastern US. Lightning-NO adds up to 20 ppbv to upper tropospheric model ozone and 1.5–4.5 ppbv to 8-h maximum surface layer ozone, although, on average, the contribution of LNO<sub>x</sub> to model surface ozone is 1–2 ppbv less on poor air quality days. LNO<sub>x</sub> increases wet deposition of oxidized nitrogen by 43% and total deposition of nitrogen by 10%. This additional deposition reduces the mean magnitude of the CMAQ low-bias in nitrate wet deposition with respect to National Atmospheric Deposition monitors to near zero. <br><br> Differences in urban/rural biases between model and satellite-retrieved NO<sub>2</sub> columns were examined to identify possible problems in model chemistry and/or transport. CMAQ columns were too large over urban areas. Biases at other locations were minor after accounting for the impacts of lightning-NO emissions and the averaging kernel on model columns. <br><br> In order to obtain an upper bound on the contribution of uncertainties in NO<sub>y</sub> chemistry to upper tropospheric NO<sub>x</sub> low biases, sensitivity calculations with updated chemistry were run for the time period of the Intercontinental Chemical Transport Experiment (INTEX-A) field campaign (summer 2004). After adjusting for possible interferences in NO<sub>2</sub> measurements and averaging over the entire campaign, these updates reduced 7–9 km biases from 32 to 17% and 9–12 km biases from 57 to 46%. While these changes lead to better agreement, a considerable unexplained NO<sub>2</sub> low-bias remains in the uppermost troposphere
Recovery of Large Angular Scale CMB Polarization for Instruments Employing Variable-delay Polarization Modulators
Variable-delay Polarization Modulators (VPMs) are currently being implemented
in experiments designed to measure the polarization of the cosmic microwave
background on large angular scales because of their capability for providing
rapid, front-end polarization modulation and control over systematic errors.
Despite the advantages provided by the VPM, it is important to identify and
mitigate any time-varying effects that leak into the synchronously modulated
component of the signal. In this paper, the effect of emission from a K
VPM on the system performance is considered and addressed. Though instrument
design can greatly reduce the influence of modulated VPM emission, some
residual modulated signal is expected. VPM emission is treated in the presence
of rotational misalignments and temperature variation. Simulations of
time-ordered data are used to evaluate the effect of these residual errors on
the power spectrum. The analysis and modeling in this paper guides
experimentalists on the critical aspects of observations using VPMs as
front-end modulators. By implementing the characterizations and controls as
described, front-end VPM modulation can be very powerful for mitigating
noise in large angular scale polarimetric surveys. None of the systematic
errors studied fundamentally limit the detection and characterization of
B-modes on large scales for a tensor-to-scalar ratio of . Indeed,
is achievable with commensurately improved characterizations and
controls.Comment: 13 pages, 13 figures, 1 table, matches published versio
Time-dependent natural orbitals and occupation numbers
We report equations of motion for the occupation numbers of natural spin
orbitals and show that adiabatic extensions of common functionals employed in
ground-state reduced-density-matrix-functional theory have the shortcoming of
leading always to occupation numbers which are independent of time. We
illustrate the exact time-dependence of the natural spin orbitals and
occupation numbers for the case of electron-ion scattering and for atoms in
strong laser fields. In the latter case, we observe strong variations of the
occupation numbers in time.Comment: 5 pages, 5 figure
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