Treatments of the exchange energy in density-functional theory

Following a recent work [Gal, Phys. Rev. A 64, 062503 (2001)], a simple derivation of the density-functional correction of the Hartree-Fock equations, the Hartree-Fock-Kohn-Sham equations, is presented, completing an integrated view of quantum mechanical theories, in which the Kohn-Sham equations, the Hartree-Fock-Kohn-Sham equations and the ground-state Schrodinger equation formally stem from a common ground: density-functional theory, through its Euler equation for the ground-state density. Along similar lines, the Kohn-Sham formulation of the Hartree-Fock approach is also considered. Further, it is pointed out that the exchange energy of density-functional theory built from the Kohn-Sham orbitals can be given by degree-two homogeneous N-particle density functionals (N=1,2,...), forming a sequence of degree-two homogeneous exchange-energy density functionals, the first element of which is minus the classical Coulomb-repulsion energy functional.Comment: 19 pages; original manuscript from 2001 (v1) revised for publication, with presentation substantially improved, some errors corrected, plus an additional summarizing figure (Appendix B) include

Functional differentiation under simultaneous conservation constraints (Constrained functional differentiation in statistical physics and hydrodynamics)

Analytical formulae for functional differentiation under simultaneous K-conservation constraints, with K the integral of some function of the functional variable, are derived, making the proper account for the simultaneous conservation of normalization and statistical averages, e.g., possible in functional differentiation in nonvariationally built physical theories, which gets particular relevance for nonequilibrium, time-dependent theories.Comment: final version, published in J Phys A; 14 pages; with (34)-(35) and a note after (10) added (to v3

Electrophysiological Correlates of Learning-Induced Modulation of Visual Motion Processing in Humans

Training on a visual task leads to increased perceptual and neural responses to visual features that were attended during training as well as decreased responses to neglected distractor features. However, the time course of these attention-based modulations of neural sensitivity for visual features has not been investigated before. Here we measured event related potentials (ERP) in response to motion stimuli with different coherence levels before and after training on a speed discrimination task requiring object-based attentional selection of one of the two competing motion stimuli. We found that two peaks on the ERP waveform were modulated by the strength of the coherent motion signal; the response amplitude associated with motion directions that were neglected during training was smaller than the response amplitude associated with motion directions that were attended during training. The first peak of motion coherence-dependent modulation of the ERP responses was at 300 ms after stimulus onset and it was most pronounced over the occipitotemporal cortex. The second peak was around 500 ms and was focused over the parietal cortex. A control experiment suggests that the earlier motion coherence-related response modulation reflects the extraction of the coherent motion signal whereas the later peak might index accumulation and readout of motion signals by parietal decision mechanisms. These findings suggest that attention-based learning affects neural responses both at the sensory and decision processing stages

Economic and natural effects of nitrate pollution of agricultural origin, in particular the aquatic enviroment

The whole area of Hungary is the gathering ground of our principal rivers (Duna, Tisza) and some bigger lakes, like Balaton, Fertő lake and Velencei lake. The water isn’t only staff of life; it is one of the most sensitive biotope of world. We suppose to protect our aquatic environment from environmental pollution as such nitrate pollution or eutrophication. Trough agricultural production the nutrient rate increases in water. The weeds begin to pullulate, they are taking up more oxygen from the water, they are necrosis, the depth of warp increases faster so the eutrophication drowns on, and the nitrate rate of rivers increases

Surveying Europe’s only cave-dwelling chordate species (Proteus anguinus) using environmental DNA

In surveillance of subterranean fauna, especially in the case of rare or elusive aquatic species, traditional techniques used for epigean species are often not feasible. We developed a non-invasive survey method based on environmental DNA (eDNA) to detect the presence of the red-listed cave-dwelling amphibian, Proteus anguinus, in the caves of the Dinaric Karst. We tested the method in fifteen caves in Croatia, from which the species was previously recorded or expected to occur. We successfully confirmed the presence of P. anguinus from ten caves and detected the species for the first time in five others. Using a hierarchical occupancy model we compared the availability and detection probability of eDNA of two water sampling methods, filtration and precipitation. The statistical analysis showed that both availability and detection probability depended on the method and estimates for both probabilities were higher using filter samples than for precipitation samples. Combining reliable field and laboratory methods with robust statistical modeling will give the best estimates of species occurrence

Low Temperature Precursor Route for Highly Efficient Spherically Shaped LED-Phosphors M2Si5N8:Eu2+ (M = Eu, Sr, Ba)

The highly efficient nitridosilicate phosphors M2Si5N8 (M = Sr, Ba, Eu) for phosphor-converted pc-LEDs were synthesized at low temperatures using a novel precursor route involving metal amides M(NH2)2. These precursors have been synthesized by dissolution of the respective metals in supercritical ammonia at 150°C and 300 bar. The thermal behavior and decomposition process of the amides were investigated with temperature programmed powder X-ray diffractometry and thermoanalytical measurements (DTA/TG). These investigations rendered the amides as suitable intermediates for reaction with silicon diimide (Si(NH)2). Thus, the desired nitridosilicate phosphors were obtained at relatively low temperatures around 1150−1400°C which is approximately 300°C lower compared to common synthetic approaches starting from metals or oxides. The influence of the thermal treatment on the phosphor morphology has been studied extensively. The accessibility of spherical phosphor particles represents another striking feature of this route since it improves light extraction from the crystallites due to decreasing light guiding and decreasing re-absorption inside the phosphor particle. The synthesized luminescent materials M2Si5N8:Eu2+ (M = Sr, Ba) exhibit quantum efficiencies and emission band widths (FWHM 70−90 nm) comparable to standard phosphor powders. Employment of Eu(NH2)2 as dopant reagent for synthesis of Ba2Si5N8:Eu2+ proved favorable for the formation of spherical crystallites compared to doping with Eu metal, halides, or oxide