1,514 research outputs found
Optimal control of strong-field ionization with time-dependent density-functional theory
We show that quantum optimal control theory (OCT) and time-dependent
density-functional theory (TDDFT) can be combined to provide realistic
femtosecond laser pulses for an enhanced ionization yield in many-electron
systems. Using the H-molecule as a test case, the optimized laser pulse
from the numerically exact scheme is compared to pulses obtained from OCT+TDDFT
within the TD exact-exchange (TDEXX) and the TD local-density approximation
(TDLDA). We find that the TDDFT-pulses produces an ionization yield of up to
50% when applied to the exact system. In comparison, pulses with a single
frequency but the same fluence typically reach to yields around 5-15%, unless
the frequency is carefully tuned into a Fano-type resonance that leads to yield. On the other hand, optimization within the exact system alone leads
to yields higher than 80%, demonstrating that correlation effects beyond the
TDEXX and TDLDA can give rise to even more efficient ionization mechanisms
Wigner molecules in polygonal quantum dots: A density functional study
We investigate the properties of many-electron systems in two-dimensional
polygonal (triangle, square, pentagon, hexagon) potential wells by using the
density functional theory. The development of the ground state electronic
structure as a function of the dot size is of particular interest. First we
show that in the case of two electrons, the Wigner molecule formation agrees
with the previous exact diagonalization studies. Then we present in detail how
the spin symmetry breaks in polygonal geometries as the spin density functional
theory is applied. In several cases with more than two electrons, we find a
transition to the crystallized state, yielding coincidence with the number of
density maxima and the electron number. We show that this transition density,
which agrees reasonably well with previous estimations, is rather insensitive
to both the shape of the dot and the electron number.Comment: 8 pages, 11 figure
Quantitative modeling of spin relaxation in quantum dots
We use numerically exact diagonalization to calculate the spin-orbit and
phonon-induced triplet-singlet relaxation rate in a two-electron quantum dot
exposed to a tilted magnetic field. Our scheme includes a three-dimensional
description of the quantum dot, the Rashba and the linear and cubic Dresselhaus
spin-orbit coupling, the ellipticity of the quantum dot, and the full angular
description of the magnetic field. We are able to find reasonable agreement
with the experimental results of Meunier et al. [Phys. Rev. Lett. 98, 126601
(2007)] in terms of the singlet-triplet energy splitting and the spin
relaxation rate, respectively. We analyze in detail the effects of the
spin-orbit factors, magnetic-field angles, and the dimensionality, and discuss
the origins of the remaining deviations from the experimental data
Construction of the B88 exchange-energy functional in two dimensions
We construct a generalized-gradient approximation for the exchange-energy
density of finite two-dimensional systems. Guided by non-empirical principles,
we include the proper small-gradient limit and the proper tail for the
exchange-hole potential. The observed performance is superior to that of the
two-dimensional local-density approximation, which underlines the usefulness of
the approach in practical applications
The Hubble rate in averaged cosmology
The calculation of the averaged Hubble expansion rate in an averaged
perturbed Friedmann-Lemaitre-Robertson-Walker cosmology leads to small
corrections to the background value of the expansion rate, which could be
important for measuring the Hubble constant from local observations. It also
predicts an intrinsic variance associated with the finite scale of any
measurement of H_0, the Hubble rate today. Both the mean Hubble rate and its
variance depend on both the definition of the Hubble rate and the spatial
surface on which the average is performed. We quantitatively study different
definitions of the averaged Hubble rate encountered in the literature by
consistently calculating the backreaction effect at second order in
perturbation theory, and compare the results. We employ for the first time a
recently developed gauge-invariant definition of an averaged scalar. We also
discuss the variance of the Hubble rate for the different definitions.Comment: 12 pages, 25 figures, references added, clarity improved, frame
switching subtlety fixed, results unchanged, v3 minor typos fixe
Light-cone averaging in cosmology: formalism and applications
We present a general gauge invariant formalism for defining cosmological
averages that are relevant for observations based on light-like signals. Such
averages involve either null hypersurfaces corresponding to a family of past
light-cones or compact surfaces given by their intersection with timelike
hypersurfaces. Generalized Buchert-Ehlers commutation rules for derivatives of
these light-cone averages are given. After introducing some adapted "geodesic
light-cone" coordinates, we give explicit expressions for averaging the
redshift to luminosity-distance relation and the so-called "redshift drift" in
a generic inhomogeneous Universe.Comment: 20 pages, 2 figures. Comments and references added, typos corrected.
Version accepted for publication in JCA
A covariant and gauge invariant formulation of the cosmological "backreaction"
Using our recent proposal for defining gauge invariant averages we give a
general-covariant formulation of the so-called cosmological "backreaction". Our
effective covariant equations allow us to describe in explicitly gauge
invariant form the way classical or quantum inhomogeneities affect the average
evolution of our Universe.Comment: 12 pages, no figures. Typos corrected, matches version to appear in
JCA
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