493 research outputs found
Density-functional calculation of ionization energies of current-carrying atomic states
Current-density-functional theory is used to calculate ionization energies of
current-carrying atomic states. A perturbative approximation to full
current-density-functional theory is implemented for the first time, and found
to be numerically feasible. Different parametrizations for the
current-dependence of the density functional are critically compared. Orbital
currents in open-shell atoms turn out to produce a small shift in the
ionization energies. We find that modern density functionals have reached an
accuracy at which small current-related terms appearing in open-shell
configurations are not negligible anymore compared to the remaining difference
to experiment.Comment: 7 pages, 2 tables, accepted by Phys. Rev.
Lower Bounds on the Exchange-Correlation Energy in Reduced Dimensions
Bounds on the exchange-correlation energy of many-electron systems are
derived and tested. By using universal scaling properties of the
electron-electron interaction, we obtain the exponent of the bounds in three,
two, one, and quasi-one dimensions. From the properties of the electron gas in
the dilute regime, the tightest estimate to date is given for the numerical
prefactor of the bound, which is crucial in practical applications. Numerical
tests on various low-dimensional systems are in line with the bounds obtained,
and give evidence of an interesting dimensional crossover between two and one
dimensions
Spin currents and spin dynamics in time-dependent density-functional theory
We derive and analyse the equation of motion for the spin degrees of freedom
within time-dependent spin-density-functional theory (TD-SDFT). Results are (i)
a prescription for obtaining many-body corrections to the single-particle spin
currents from the Kohn-Sham equation of TD-SDFT, (ii) the existence of an
exchange-correlation (xc) torque within TD-SDFT, (iii) a prescription for
calculating, from TD-SDFT, the torque exerted by spin currents on the spin
magnetization, (iv) a novel exact constraint on approximate xc functionals, and
(v) the discovery of serious deficiencies of popular approximations to TD-SDFT
when applied to spin dynamics.Comment: now includes discussion of OEP and GGA; to appear in Phys. Rev. Let
The spin angular gradient approximation in the density functional theory
A spin angular gradient approximation for the exchange correlation magnetic
field in the density functional formalism is proposed. The usage of such
corrections leads to a consistent spin dynamical approach beyond the local
approximation. The proposed technique does not contain any approximations for
the form of potential and can be used in modern full potential band structure
methods. The obtained results indicate that the direct 'potential' exchange in
3d magnets is rather small compared to the indirect 'kinetic' exchange, thus
justifies the dynamical aspect of the local density approximation in 3d metals
Observability of Earth-skimming Ultra-high Energy Neutrinos
Neutrinos with energies above 10^8 GeV are expected from cosmic ray
interactions with the microwave background and are predicted in many
speculative models. Such energetic neutrinos are difficult to detect, as they
are shadowed by the Earth, but rarely interact in the atmosphere. Here we
propose a novel detection strategy: Earth-skimming neutrinos convert to charged
leptons that escape the Earth, and these leptons are detected in ground level
fluorescence detectors. With the existing HiRes detector, neutrinos from some
proposed sources are marginally detectable, and improvements of two orders of
magnitude are possible at the proposed Telescope Array.Comment: 4 pages, 3 figure
Some Remarks on Theories with Large Compact Dimensions and TeV-Scale Quantum Gravity
We comment on some implications of theories with large compactification radii
and TeV-scale quantum gravity. These include the behavior of high-energy
gravitational scattering cross sections and consequences for ultra-high-energy
cosmic rays and neutrino scattering, the question of how to generate naturally
light neutrino masses, the issue of quark-lepton unification, the equivalence
principle, and the cosmological constant.Comment: 28 pages, Late
Determination of absolute neutrino masses from Z-bursts
Ultrahigh energy neutrinos (UHE\nu) scatter on relic neutrinos (R\nu)
producing Z bosons, which can decay hadronically producing protons (Z-burst).
We compare the predicted proton spectrum with the observed ultrahigh energy
cosmic ray (UHECR) spectrum and determine the mass of the heaviest R\nu via a
maximum likelihood analysis. Our prediction depends on the origin of the
power-like part of the UHECR spectrum: m_\nu=2.75^{+1.28}_{-0.97} eV for
Galactic halo and 0.26^{+0.20}_{-0.14} eV for extragalactic (EG) origin. The
necessary UHE\nu flux should be detected in the near future.Comment: slight rewording, revised neutrino fluxes, conclusions unchanged,
version to appear in Phys. Rev. Let
Dynamical parton distributions of the nucleon and very small-x physics
Utilizing recent DIS measurements (F_{2,L}) and data on dilepton and
high-E_{T} jet production we determine the dynamical parton distributions of
the nucleon generated radiatively from valence-like positive input
distributions at optimally chosen low resolution scales. These are compared
with `standard' distributions generated from positive input distributions at
some fixed and higher resolution scale. It is shown that up to the next to
leading order NLO(\bar{MS}, DIS) of perturbative QCD considered in this paper,
the uncertainties of the dynamical distributions are, as expected, smaller than
those of their standard counterparts. This holds true in particular in the
presently unexplored extremely small-x region relevant for evaluating ultrahigh
energy cross sections in astrophysical applications. It is noted that our new
dynamical distributions are compatible, within the presently determined
uncertainties, with previously determined dynamical parton distributions.Comment: 21 pages, 2 tables, 16 figures, v2: added Ref.[60], replaced Fig.
Cosmic Rays as Probes of Large Extra Dimensions and TeV Gravity
If there are large extra dimensions and the fundamental Planck scale is at
the TeV scale, then the question arises of whether ultra-high energy cosmic
rays might probe them. We study the neutrino-nucleon cross section in these
models. The elastic forward scattering is analyzed in some detail, hoping to
clarify earlier discussions. We also estimate the black hole production rate.
We study energy loss from graviton mediated interactions and conclude that they
can not explain the cosmic ray events above the GZK energy limit. However,
these interactions could start horizontal air showers with characteristic
profile and at a rate higher than in the Standard Model.Comment: 14 pages, 4 figures; minor changes, replaced with version to be
published in Phys. Rev.
On the cosmic ray bound for models of extragalactic neutrino production
We obtain the maximum diffuse neutrino intensity predicted by hadronic
photoproduction models of the type which have been applied to the jets of
active galactic nuclei or gamma ray bursts. For this, we compare the proton and
gamma ray fluxes associated with hadronic photoproduction in extragalactic
neutrino sources with the present experimental upper limit on cosmic ray
protons and the extragalactic gamma ray background, employing a transport
calculation of energetic protons traversing cosmic photon backgrounds. We take
into account the effects of the photon spectral shape in the sources on the
photoproduction process, cosmological source evolution, the optical depth for
cosmic ray ejection, and discuss the possible effects of magnetic fields in the
vicinity of the sources. For photohadronic neutrino sources which are optically
thin to the emission of neutrons we find that the cosmic ray flux imposes a
stronger bound than the extragalactic gamma ray background in the energy range
between 10^5 GeV and 10^11 GeV, as previously noted by Waxman & Bahcall (1999).
We also determine the maximum contribution from the jets of active galactic
nuclei, using constraints set to their neutron opacity by gamma-ray
observations. This present upper limit is consistent with the jets of active
galactic nuclei producing the extragalactic gamma ray background hadronically,
but we point out future observations in the GeV-to-TeV regime could lower this
limit. We also briefly discuss the contribution of gamma ray bursts to
ultra-high energy cosmic rays as it can be inferred from possible observations
or limits on their correlated neutrino fluxes.Comment: 16 pages, includes 7 figures, using REVtex3.1, accepted for
publication in Phys.Rev.D after minor revision
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