13,169 research outputs found
The correlation potential in density functional theory at the GW-level: spherical atoms
As part of a project to obtain better optical response functions for nano
materials and other systems with strong excitonic effects we here calculate the
exchange-correlation (XC) potential of density-functional theory (DFT) at a
level of approximation which corresponds to the dynamically- screened-exchange
or GW approximation. In this process we have designed a new numerical method
based on cubic splines which appears to be superior to other techniques
previously applied to the "inverse engineering problem" of DFT, i.e., the
problem of finding an XC potential from a known particle density. The
potentials we obtain do not suffer from unphysical ripple and have, to within a
reasonable accuracy, the correct asymptotic tails outside localized systems.
The XC potential is an important ingredient in finding the particle-conserving
excitation energies in atoms and molecules and our potentials perform better in
this regard as compared to the LDA potential, potentials from GGA:s, and a DFT
potential based on MP2 theory.Comment: 13 pages, 9 figure
Large-scale diversity estimation through surname origin inference
The study of surnames as both linguistic and geographical markers of the past
has proven valuable in several research fields spanning from biology and
genetics to demography and social mobility. This article builds upon the
existing literature to conceive and develop a surname origin classifier based
on a data-driven typology. This enables us to explore a methodology to describe
large-scale estimates of the relative diversity of social groups, especially
when such data is scarcely available. We subsequently analyze the
representativeness of surname origins for 15 socio-professional groups in
France
Implementation of mean-timing and subsequent logic functions on an FPGA
This article describes the implementation of a mean-timer and coincidence
logic on a Virtex-5 FPGA for trigger purposes in a particle physics experiment.
The novel feature is that the mean-timing and the coincidence logic are not
synchronized with a clock which allows for a higher resolution of approximately
400 ps, not limited by a clock frequency.Comment: 15 pages, 11 figure
Seebeck coefficients of half-metallic ferromagnets
In this report the Co2 based Heusler compounds are discussed as potential
materials for spin voltage generation. The compounds were synthesized by
arcmelting and consequent annealing. Band structure calculations were performed
and revealed the compounds to be half-metallic ferromagnets. Magnetometry was
performed on the samples and the Curie temperatures and the magnetic moments
were determined. The Seebeck coefficients were measured from low to ambient
temperatures for all compounds. For selected compounds high temperature
measurements up to 900 K were performed.Comment: accepted contribution o the Special Issue "Spin Caloritronics" of
Solid State Communication
Suppression of nitrite-oxidizing bacteria in intermittently aerated biofilms: a model-based explanation
An Innovative Activated Sludge System for Enhanced Nutrient Recovery via Downstream Cultivation of Green Microalgae
N2O and NO dynamics in AOB-enriched and mixed-culture biomass: experimental observations and model calibration
N2O and NO dynamics in AOB-enriched and mixed-culture biomass: Experimental Observations and Model Calibration
Suppression of nitrite-oxidizing bacteria in intermittently aerated biofilm reactors: a model-based explanation
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