171 research outputs found
Distributed control in virtualized networks
The increasing number of the Internet connected devices requires novel solutions to control the next generation network resources. The cooperation between the Software Defined Network (SDN) and the Network Function Virtualization (NFV) seems to be a promising technology paradigm. The bottleneck of current SDN/NFV implementations is the use of a centralized controller. In this paper, different scenarios to identify the pro and cons of a distributed control-plane were investigated. We implemented a prototypal framework to benchmark different centralized and distributed approaches. The test results have been critically analyzed and related considerations and recommendations have been reported. The outcome of our research influenced the control plane design of the following European R&D projects: PLATINO, FI-WARE and T-NOVA
Spin Resolution of the Electron-Gas Correlation Energy: Positive same-spin contribution
The negative correlation energy per particle of a uniform electron gas of
density parameter and spin polarization is well known, but its
spin resolution into up-down, up-up, and down-down contributions is not.
Widely-used estimates are incorrect, and hamper the development of reliable
density functionals and pair distribution functions. For the spin resolution,
we present interpolations between high- and low-density limits that agree with
available Quantum Monte Carlo data. In the low-density limit for ,
we find that the same-spin correlation energy is unexpectedly positive, and we
explain why. We also estimate the up and down contributions to the kinetic
energy of correlation.Comment: new version, to appear in PRB Rapid Communicatio
Energy Density Functionals From the Strong-Coupling Limit Applied to the Anions of the He Isoelectronic Series
Anions and radicals are important for many applications including
environmental chemistry, semiconductors, and charge transfer, but are poorly
described by the available approximate energy density functionals. Here we test
an approximate exchange-correlation functional based on the exact
strong-coupling limit of the Hohenberg-Kohn functional on the prototypical case
of the He isoelectronic series with varying nuclear charge , which
includes weakly bound negative ions and a quantum phase transition at a
critical value of , representing a big challenge for density functional
theory. We use accurate wavefunction calculations to validate our results,
comparing energies and Kohn-Sham potentials, thus also providing useful
reference data close to and at the quantum phase transition. We show that our
functional is able to bind H and to capture in general the physics of
loosely bound anions, with a tendency to strongly overbind that can be proven
mathematically. We also include corrections based on the uniform electron gas
which improve the results.Comment: Accepted for the JCP Special Topic Issue "Advances in DFT
Methodology
Density functional theory for strongly-correlated bosonic and fermionic ultracold dipolar and ionic gases
We introduce a density functional formalism to study the ground-state
properties of strongly-correlated dipolar and ionic ultracold bosonic and
fermionic gases, based on the self-consistent combination of the weak and the
strong coupling limits. Contrary to conventional density functional approaches,
our formalism does not require a previous calculation of the interacting
homogeneous gas, and it is thus very suitable to treat systems with tunable
long-range interactions. Due to its asymptotic exactness in the regime of
strong correlation, the formalism works for systems in which standard
mean-field theories fail.Comment: 5 pages, 2 figure
Kohn-Sham density functional theory for quantum wires in arbitrary correlation regimes
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to construct an approximation for the exchange-correlation term of the Kohn-Sham approach. The resulting exchange-correlation potential is able to capture the features of the strongly correlated regime without breaking the spin or any other symmetry. In particular, it shows “bumps” (or barriers) that give rise to charge localization at low densities and that are a well-known key feature of the exact Kohn-Sham potential for strongly correlated systems. Here, we illustrate this approach for the study of both weakly and strongly correlated model quantum wires, comparing our results with those obtained with the configuration interaction method and with the usual Kohn-Sham local density approximation
Regularized and Opposite spin-scaled functionals from M{\o}ller-Plesset adiabatic connection -- higher accuracy at lower cost
Non-covalent interactions (NCIs) play a crucial role in biology, chemistry,
material science, and everything in between. To improve pure quantum-chemical
simulations of NCIs, we propose a methodology for constructing approximate
correlation energies by combining an interpolation along the M{\o}ller
adiabatic connection (MP AC) with a regularization and spin-scaling strategy
applied to MP2 correlation energies. This combination yields -SPL2, which exhibits superior accuracy for NCIs compared to
any of the individual strategies. With the formal scaling, -SPL2, is competitive or often outperforms more expensive
dispersion-corrected double hybrids for NCIs.The accuracy of -SPL2 particularly shines for anionic halogen bonded
complexes, where it surpasses standard dispersion-corrected DFT by a factor of
3 to 5.Comment: 12 pages + 5 SI, 8 figures + 6 S
Exchange and correlation as a functional of the local density of states
A functional is presented, in which the exchange
and correlation energy of an electron gas depends on the local density of
occupied states. A simple local parametrization scheme is proposed, entirely
from first principles, based on the decomposition of the exchange-correlation
hole in scattering states of different relative energies. In its practical
Kohn-Sham-like form, the single-electron orbitals become the independent
variables, and an explicit formula for the functional derivative is obtained.Comment: 5 pages. Expanded version. Will appear in Phys. Rev.
Self-consistent Overhauser model for the pair distribution function of an electron gas in dimensionalities D=3 and D=2
We present self-consistent calculations of the spin-averaged pair
distribution function for a homogeneous electron gas in the paramagnetic
state in both three and two dimensions, based on an extension of a model that
was originally proposed by A. W. Overhauser [Can. J. Phys. {\bf 73}, 683
(1995)] and further evaluated by P. Gori-Giorgi and J. P. Perdew [Phys. Rev. B
{\bf 64}, 155102 (2001)]. The model involves the solution of a two-electron
scattering problem via an effective Coulombic potential, that we determine
within a self-consistent Hartree approximation. We find numerical results for
that are in excellent agreement with Quantum Monte Carlo data at low and
intermediate coupling strength , extending up to in
dimensionality D=3. However, the Hartree approximation does not properly
account for the emergence of a first-neighbor peak at stronger coupling, such
as at in D=2, and has limited accuracy in regard to the spin-resolved
components and . We also
report calculations of the electron-electron s-wave scattering length, to test
an analytical expression proposed by Overhauser in D=3 and to present new
results in D=2 at moderate coupling strength. Finally, we indicate how this
approach can be extended to evaluate the pair distribution functions in
inhomogeneous electron systems and hence to obtain improved
exchange-correlation energy functionals.Comment: 14 pages, 7 figuers, to apear in Physical Review
Analytic theory of ground-state properties of a three-dimensional electron gas at varying spin polarization
We present an analytic theory of the spin-resolved pair distribution
functions and the ground-state energy of an electron gas
with an arbitrary degree of spin polarization. We first use the Hohenberg-Kohn
variational principle and the von Weizs\"{a}cker-Herring ideal kinetic energy
functional to derive a zero-energy scattering Schr\"{o}dinger equation for
. The solution of this equation is implemented
within a Fermi-hypernetted-chain approximation which embodies the Hartree-Fock
limit and is shown to satisfy an important set of sum rules. We present
numerical results for the ground-state energy at selected values of the spin
polarization and for in both a paramagnetic and a fully
spin-polarized electron gas, in comparison with the available data from Quantum
Monte Carlo studies over a wide range of electron density.Comment: 13 pages, 8 figures, submitted to Phys. Rev.
Energy densities in the strong-interaction limit of density functional theory
We discuss energy densities in the strong-interaction limit of density
functional theory, deriving an exact expression within the definition (gauge)
of the electrostatic potential of the exchange-correlation hole. Exact results
for small atoms and small model quantum dots are compared with available
approximations defined in the same gauge. The idea of a local interpolation
along the adiabatic connection is discussed, comparing the energy densities of
the Kohn-Sham, the physical, and the strong-interacting systems. We also use
our results to analyze the local version of the Lieb-Oxford bound, widely used
in the construction of approximate exchange-correlation functionals.Comment: 12 page
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