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Search results for: QUANTUM CRITICALITY
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Milky Sap of Greater Celandine (Chelidonium majus L.) and Anti-Viral Properties
PublicationThe milky juice of the greater celandine herb has been used in folk medicine and in homeopathy for treatment of viral warts for years. However, classical medicine fails to use properties of celandine herbs in treatment of diseases induced by papilloma viruses. Nevertheless, dermatological outpatient clinics are regularly visited by patients reporting efficacy of milky sap isolated from celandine herb in treatment of their own...
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Unveiling the Green Mirage: Unearthing Weaknesses in Pro-Environmental Applications
PublicationGrowing ecological concerns and a general shift towards tailored digitized solutions in cities lead to an increased popularity of pro ecological applications, especially those associated with transport-oriented functionalities. This research focuses on the results from a testbed of a pro-environmental application deployment among early adopters. Based on quantitative and cartographic analysis enriched with interviews’ results,...
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Advances in mass spectrometry for iron speciation in plants
PublicationIron is an important nutrient essential for plants and critical for human health. The state-of-the art of methods for iron speciation in cereal grains and plant fluids is critically reviewed. Particular attention is given to the latest developments in the coupling of HPLC with the parallel ICP MS and electrospray ionization (ESI) MS/MS detection, usually QTOF MS or Q-Orbitrap MS, for the identification and quantification of iron...
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Recent advances in aqueous virus removal technologies
PublicationThe COVID-19 outbreak has triggered a massive research, but still urgent detection and treatment of this virus seems a public concern. The spread of viruses in aqueous environments underlined efficient virus treatment processes as a hot challenge. This review critically and comprehensively enables identifying and classifying advanced biochemical, membrane-based and disinfection processes for effective treatment of virus-contaminated...
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Predicting the viscosity and electrical conductivity of ionic liquids on the basis of theoretically calculated ionic volumes
PublicationSelected physical properties of the ionic liquids might be quantitatively predicted based on the volumes of the ions these systems are composed of. It is demonstrated that the ionic volumes calculated using relatively simple theoretical quantum chemistry methods can be utilised to estimate the viscosities and electrical conductivities of various commonly used ionic liquids. The fitting formulas of the exponential form are offered...
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Optical Spectroscopic Studies of Tetrahydrofuran Fragmentation Induced by Collisions with Dihydrogen Cations
PublicationCollisions of dihydrogen cations with tetrahydrofuran molecules have been studied. Luminescence spectra and the emission functions of the excited products at projectile energies ranging from 8 to 1000 eV have been measured using collision-induced emission spectroscopy. The recorded spectra are dominated by the atomic lines of the hydrogen Balmer series, whose intensities decrease more quickly than derived by the quantum-theoretical...
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Production of singlet oxygen atoms by photodissociation of oxywater
PublicationQuantum chemical calculations are reported for the energies of the few lowest electronic singlet states of oxywater along dissociation of the oxygen-oxygen bond into water and singlet oxygen using multistate multireference second-order Møller–Plesset perturbation theory. We compute an energy of 21 kcal/mol to remove one oxygen atom in the lowest singlet state. The two lowest excited singlet states have vertical excitation energies...
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Contra Bellum: Bell's Theorem as a Confusion of Languages
PublicationBell's theorem is a conflict of mathematical predictions formulated within an infinite hierarchy of mathematical models. Inequalities formulated at level k ∈ Z are violated by probabilities at level k+1. We are inclined to think that k=0 corresponds to the classical world, while k=1 — to the quantum one. However, as the k=0 inequalities are violated by k=1 probabilities, the same relation holds between k=1 inequalities violated...
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Wpływ udziału użytkownika na jakość użytkową w projektach informatycznych.
PublicationArtykuł przedstawia wyniki badań przeprowadzonych wśród 30 uczestników projektów informatycznych, reprezentujących różnorodne przedsiębiorstwa. Uzyskane dane zostały poddane analizie ilościowej z wykorzystaniem metody chi^2, której zadaniem było ocena stopnia korelacji występującego pomiędzy udziałem użytkowników końcowych, a jakością użytkową produktu. Wyniki badań skupiają się wokół poszukiwań rozwiązania problemu określanego...
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Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules
PublicationFormation of the excited NH(A 3Π) free radicals in the photodissociation of isoxazole (C3H3NO) molecules has been studied over the 14-22 eV energy range using photon-induced fluorescence spectroscopy. The NH(A 3Π) is produced through excitation of the isoxazole molecules into higher-lying superexcited states. Observation of the NH radical, which is not a structural unit of the isoxazole molecule, corroborates the hydrogen atom...
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Entanglement-redistribution boxes
PublicationWe establish a framework to study the classical-communication properties of primitive local operations assisted by classical communication which realize various redistributions of entanglement, like, e.g., entanglement swapping. On the one hand, we analyze what local operations and how much classical communication are needed to perform them. On the other hand, we investigate whether and to what extent such primitives can help to...
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A Note on Fractional Curl Operator
PublicationIn this letter, we demonstrate that the fractional curl operator, widely used in electromagnetics since 1998, is essentially a rotation operation of components of the complex Riemann–Silberstein vector representing the electromagnetic field. It occurs that after the wave decomposition into circular polarisations, the standard duality rotation with the angle depending on the fractional order is applied to the left-handed basis vector...
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Experimental and theoretical studies on the Sulfamethazine-Urea and Sulfamethizole-Urea solid-liquid equilibria
PublicationThe miscibility of active pharmaceutical ingredients with excipients is an important aspect in pharmaceutical technology protocols. In this study, the differential scanning calorimetry (DSC) was used for Sulfamethazine-Urea (SI–U) and Sulfamethizole-Urea (SO–U) solid-liquid phase diagrams determination. Both sulfonamides form simple binary eutectics with Urea. The lack of new co-crystal phase formation was confirmed by inspection...
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Ferrofluids based analytical extractions and evaluation of their greenness
PublicationFerrofluids are stable dispersions of magnetic nanoparticles in a carrier liquid. They have attracted considerable attention in analytical extractions as they combine fluid-like properties with magnetic character, providing magnetic control over the extraction process. The synthesis of ferrofluids is very straightforward, and it generally involves the preparation of magnetic nanoparticles, their coating, and then mixing in a suitable...
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Structural and electrochemical heterogeneities of boron-doped diamond surfaces
PublicationThis brief review is focussed on the recent progress in studies of the heterogeneous electrochemical behaviour of various boron-doped materials extending from zero-dimensional particles through polycrystalline or nanostructured three-dimensional surfaces. A boron-doped diamond reveals large heterogeneities induced by numerous factors, inter alia multi-faceted crystallinity, inhomogeneous boron concentration, sp2/sp3-carbon ratio,...
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Elimination and migration of hydrogen in the vacuum-ultraviolet photodissociation of pyridine molecules
PublicationElimination of the excited hydrogen atoms H(n), n = 4–7, and hydrogen migration in formation of the excited NH(A 3Π) free radicals in the photodissociation of pyridine, C5H5N, molecules have been studied over the 17.5–70 eV photon energy range. In the measurements the photon-induced fluorescence spectroscopy technique has been applied. Both fragments are produced through excitation of pyridine molecules into higher-lying superexcited...
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Fluorescence of p-hydroxyazobenzocrowns – Tautomeric equilibrium effect
PublicationThe spectroscopic properties of a series of para-hydroxyazobenzocrowns, including three novel compounds, were investigated using UV–Vis absorption and emission spectroscopy. This study presents, for the first time, determined quantum yield (QY) values for macrocycles of this category, ranging between 0.122 and 0.195. The highest values were obtained for crowns bearing two phenyl substituents in benzene rings. The impact of aromatic...
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Entropy Production Associated with Aggregation into Granules in a Subdiffusive Environment
PublicationWe study the entropy production that is associated with the growing or shrinking of a small granule in, for instance, a colloidal suspension or in an aggregating polymer chain. A granule will fluctuate in size when the energy of binding is comparable to k_{B}T, which is the “quantum” of Brownian energy. Especially for polymers, the conformational energy landscape is often rough and has been commonly modeled as being self-similar...
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Kagome Lattice Promotes Chiral Spin Fluctuations
PublicationDynamical spin fluctuations in magnets can be endowed with a slight bent toward left- or right-handed chirality by Dzyaloshinskii-Moriya interactions. However, little is known about the crucial role of lattice geometry on these chiral spin fluctuations and on fluctuation-related transport anomalies driven by the quantum-mechanical (Berry) phase of conduction electrons. Via thermoelectric Nernst effect and electric Hall effect experiments,...
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SEM analysis of the TiO2 layers deposited on a FTO substrates
Open Research DataTitanium dioxide layers were deposited on a FTO conducting glass by sol-gel method. For sol gel synthesis butoxy titanium and ethanol were used as a reagents. Samples were sintered in a furnace at temperature of 600 deg. SEM measurements were performed by FEI Quanta FEG250 microscope. SEM images of a cross-section of samples exhibit a porous structures...
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SEM inwestigation of the silver nanostructures
Open Research DataSilver thin films with a thickness of 1nm, 3nm, 5nm, 7nm and 9nm were deposited by a table-top magnetron sputtering unit in a pure argon plasma from a high-purity silver target. Silicon wafers was used as a substrates. As-deposired films were annealed in Ar atmosphere at 550 Celsius degree for 15 minutes.As a result of annealing, Ag nanostructures formed...
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The luminescence study of Bi-doped Cs2AgInCl6 double perovskite.
Open Research DataHere, we report a halide precursor acid precipitation method to synthesize Cs2AgIn1−xBixCl6 (x = 0, 0.02, 0.04, 0.08, 0.16, 0.32, 0.64, and 1) microcrystals. Cs2AgInCl6 and Bi derivative double perovskites show broadband white light emission via self-trapped excitons (STEs) and have achieved the highest internal quantum efficiency of up to 52.4% at...
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Nanostructures fabrication with use of electrical AFM litography
Open Research DataIn the last 10 years, one of the nanotechnological trends has been observed, consisting in the development of new variants of computer memory systems with high capacity and speed of access, using quantum dots. One of the techniques for creating nanodots and other nanostructures is based on the use of an atomic force microscope acting as a lithographic...
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Conjectured strong complementary-correlations tradeoff
PublicationWe conjecture uncertainty relations that restrict correlations between the results of measurements performed by two separate parties on a shared quantum state. The first uncertainty relation bounds the sum of two mutual informations when one party measures a single observable and the other party measures one of two observables. The uncertainty relation does not follow from the Maassen-Uffink uncertainty relation and is much stronger...
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Positron-electron correlation-polarization potentials for the calculation of positron collisions with atoms and molecules
PublicationWe present correlation-polarization potentials for the calculation of scattering cross sections of positrons with atoms and molecules. The potentials are constructed from a short-range correlation term and a long-range polarization term. For the short-range correlation term we present four different potentials that are derived from multi-component density functionals. For the long-range polarization term we employ a multi-term...
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Topological, nonreciprocal, and multiresonant slow light beyond the time-bandwidth limit
PublicationTopologically protected transport has recently emerged as an effective means to address a recurring problem hampering the field of slow light for the past two decades: its keen sensitivity to disorders and structural imperfections. With it, there has been renewed interest in efforts to overcome the delay-time-bandwidth limitation usually characterizing slow-light devices, on occasion thought to be a fundamental limit. What exactly...
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SEM micrographs of V2O5 nanorods as cathode material in Li-ion batteries
Open Research DataThe DataSet contains the scanning electron microscopy (SEM) micrographs of V2O5 nanorods as cathode materials before and after the galvanostatic charge/discharge curves.
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SEM micrographs of the V2O5 nanorods after thermal treatment under reducing atmosphere
Open Research DataThe DataSet contains the SEM micrographs of V2O5 nanorods after thermal treatment under a reducing atmosphere. Samples were annealed at 450C for 2, 20, and 40h under a reducing atmosphere (94% Ar, 6% H2).
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SEM micrographs of V2O5 nanocrystals as cathode material in Li-ion batteries
Open Research DataThe DataSet contains the scanning electron microscopy (SEM) micrographs of V2O5 nanocrystals as cathode materials before and after the galvanostatic charge/discharge curves.
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Chemical composition of V2O5 nanorods
Open Research DataThe DataSet contains the chemical compositions of the V2O5 nanorods on a silicon substrate. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The As-prepared thin films were annealed at 600C under a synthetic air atmosphere.
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Wpływ uziarnienia podłoża gruntowego na dystrybucję metali ciężkich wprowadzanych w działaniach rekultywacyjnych
PublicationW artykule przedstawiono wyniki badań ukierunkowanych na określenie dystrybucji metali ciężkich w gruntach w zależności od ich składu granulometrycznego. Badania prowadzono na obszarach zdegradowanych technicznie przed i po rekultywacji osadem ściekowym. Uzyskane wyniki pozwalają twierdzić, że jednym ze znaczących czynników decydujących o migracji wprowadzonych do gruntu metali ciężkich jest uziarnienie gruntów, z którym z kolei...
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Wpływ warunków spalania osadów ściekowych na mobilność metali ciężkich w popiołach
PublicationWzrost ilości wytwarzanych komunalnych osadów ściekowych, przy jednoczesnym ograniczeniu możliwości ich składowania oraz wykorzystywania na cele rolnicze powoduje, że w ciągu najbliższych lat problem ich zagospodarowanie stanie się istotnym zagadnieniem nie tylko ekologicznym jak również technicznym. Szacuje się, że w Polsce do roku 2018 zostanie wytworzonych ok. 707 tys. ton s.m. ustabilizowanych komunalnych osadów ściekowych....
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Biokumulacja metali ciężkich w roślinach trawiastych porastających tereny rekultywowane osadem ściekowym
PublicationW pracy przedstawiono ocenę skuteczności rekultywacji przeprowadzonej na dwóch obszarach zdegradowanych technicznie: na składowisku odpadów paleniskowych oraz na wyrobisku pożwirowym, w woj.pomorskim. Wprowadzenie na te, narażone na erozje, tereny osadu ściekowego wraz z nasionami traw przyczyniło się do ich szybkiego roślinnego utrwalenia. W wyniku zaistniałych procesów fizyczno-chemicznych zachodzących w podłożach osadowo-gruntowych,...
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Distribution and concentration of heavy metals in ash during thermal process sewage sludge
PublicationKażdego roku na świecie, obserwuje się znaczący wzrost produkcji osadów ściekowych. Przykładowo w 2006 roku, w Polsce ich ilość osiągnęła 1 mln ton w przeliczeniu na sucha masę, w tym ok. połowa pochodziła z oczyszczalni komunalnych. Problem ich zagospodarowania stanowi przedmiot zainteresowania wielu instytucji zajmujących się ochroną środowiska, zarówno w Polsce, jak i na całym świecie. Ich dotychczasowe wykorzystania polegało...
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Jakość osadów dennych ze stawów hodowli ryb łososiowatych
PublicationPodstawowe zagrożenia dla środowiska naturalnego związane z hodowlą ryb łososiowatych to przede wszystkim odprowadzanie do wód powierzchniowych wód poprodukcyjnych oraz problemy zagospodarowania osadów dennych. Osady te, powstające w wyniku hodowli ryb oraz w procesach oczyszczania wód poprodukcyjnych, zawierają najczęściej około 90-99% wody i ze względu na ich dużą objętość i płynną konsystencję są trudne do zagospodarowania....
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The influence of phosphorus fractions in bottom sediments on phosphate removal in semi-natural systems as the 3rd stage of biological wastewater treatment
PublicationThe research was carried out in two semi-natural systems (the polishing ponds in Swarzewo and the free water surface constructed wetland in Zarnowiec) in Poland. They were built as the 3rd stage of a conventional mechanical–biological wastewater treatment plant. These systems were built to improve the quality of the effluent of treated wastewater. In the polishing ponds and FWS wetland system, suspended solids, organic matter as...
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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublicationWe extend our recently developed quantum-mechanical/molecular mechanics (QM/MM) approach [Dziedzic et al., J. Chem. Phys. 145, 124106 (2016)] to enable in situ optimization of the localized orbitals. The quantum subsystem is described with ONETEP linear-scaling density functional theory and the classical subsystem – with the AMOEBA polarizable force field. The two subsystems interact via multipolar electrostatics and are fully...
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Honey bees and their products - bioindicators of environmental contamination
PublicationHuman activities produce contaminants, the amounts and toxicity of which often exceed the environment’s homeostatic capacity to cleanse itself. Hence, the systematic analysis and monitoring of the environment is increasingly a matter of urgency. Honey bees, thanks to their morphological features, and also bee products are regarded as good indicators of environmental pollution by toxic substances, be these heavy metals, radioactive...
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Magnetic deep eutectic solvents – Fundamentals and applications
PublicationMagnetic deep eutectic solvents (MDES), a relatively new subclass of conventional deep eutectic solvents (DES) containing additional paramagnetic components in their structure. MDES exhibit a strong response toward external magnetic fields, thus they can improve many industrial and analytical applications. In addition, this new group of solvents present unique physicochemical properties that can be easily tuned by selecting the...
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Review of Shoreline Extraction Methods from Aerial Laser Scanning
PublicationAutonomous technologies are increasingly used in various areas of science. The use of unmanned vehicles for hydrographic surveys in shallow coastal areas requires accurate estimation of shoreline position. This is a nontrivial task, which can be performed using a wide range of sensors and methods. The aim of the publication is to review shoreline extraction methods based solely on data from aerial laser scanning (ALS). This narrative...
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1,3-alternate calix[4]arene-bonded silica stationary phases. Effect of calixarene skeleton substituents on the retention mechanism and column selectivity
PublicationFour novel 1,3-alternate calix[4]arene-bonded silica gel stationary phases possessing different aromatic and aliphatic substituents at the upper rim (CalixNph, CalixBph, CalixHex and CalixDdc) were prepared and structurally characterized. The comparison and selectivity of these phases was done by using alkylbenzenes, fatty acid p-bromophenacyl esters, aromatic positional isomers and polynuclear aromatic hydrocarbons as analytes....
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Inseparability criteria based on matrices of moments
PublicationInseparability criteria for continuous and discrete bipartite quantum states based on moments of annihilationand creation operators are studied by developing the idea of Shchukin-Vogel criterion Phys. Rev. Lett. 95,230502 2005. If a state is separable, then the corresponding matrix of moments is separable too. Thus, wederive generalized criteria based on the separability properties of the matrix of moments. In particular, acriterion...
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Low-energy positron scattering from DNA nucleobases: the effects from permanent dipoles
PublicationAb initio quantum calculations for low-energy positron scattering from gas-phase isolated molecular nucleobases which are part of the DNA structure are presented and discussed over the range of 1 eV to 25 eV. The calculations report the integral cross sections (ICSs) and the momentum-transfer cross sections (MTCSs) for Adenine, Guanine, Thymine and Cytosine. The calculations show very clearly the important role of the dominant...
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A study of concentration depolarization and quenching of photoluminescence of solutions
PublicationThe concentration-dependence of emission anisotropy r/r0 and quantum yield eta/eta0 of the photoluminescence of glycerol-water solutions of rhodamine B in two systems of viscosities 7.4 P and 0.72 P is investigated. The experimental data are compared with the new theory of concentraticn depolarization (J. Lumin., 5, 413 (1972)) and concentration quenching of photoluminescence (Acta Phys. Hungar., 30, 145 (1972)), which takes...
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System information propagation for composite structures
PublicationWe study in details decoherence process of a spin register, coupled to a spin environment. We use recently developed methods of information transfer study in open quantum systems to analyze information flow between the register and its environment. We show that there are regimes when not only the register decoheres effectively to a classical bit string, but this bit string is redundantly encoded in the environment, making it available...
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Stripe order and magnetic anisotropy in the S=1 antiferromagnet BaMoP2O8
PublicationMagnetic behavior of yavapaiite-type BaMoP2O8 with the spatially anisotropic triangular arrangement of the S=1Mo4+ ions is explored using thermodynamic measurements, neutron diffraction, and density-functional band-structure calculations. A broad maximum in the magnetic susceptibility around 46 K is followed by the stripe antiferromagnetic order with the propagation vector k=(12,12,12) formed below TN≃21 K. This stripe phase is...
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Relativistic two-dimensional hydrogen-like atom in a weak magnetic field
PublicationA two-dimensional (2D) hydrogen-like atom with a relativistic Dirac electron, placed in a weak, static, uniform magnetic field perpendicular to the atomic plane, is considered. Closed forms of the first- and second-order Zeeman corrections to energy levels are calculated analytically, within the framework of the Rayleigh–Schrödinger perturbation theory, for an arbitrary electronic bound state. The second-order calculations are...
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Efficiency of exciton splitting in organic photovoltaic cells within EQE spectrum
PublicationThe paper presents a procedure of estimating the efficiency of exciton splitting at ED/EA interface. The procedure consists in evaluation of splitting of excitons into electron-hole pairs on the basis of the external quantum efficiency spectra of planar cells and spectra of absorbance of active organic layers. The fitting parameters are the exciton splitting probabilities at ED/EA interface. The presented procedure was applied...
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Negative result about the construction of genuinely entangled subspaces from unextendible product bases
PublicationUnextendible product bases (UPBs) provide a versatile tool with various applications across different areas of quantum information theory. Their comprehensive characterization is thus of great importance and has been a subject of vital interest for over two decades now. An open question asks about the existence of UPBs, which are genuinely unextendible, i.e., they are not extendible even with biproduct vectors. In other words,...
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Implementation of high-precision computation capabilities into the open-source dynamic simulation framework YADE
PublicationThis paper deals with the implementation of arbitrary precision calculations into the open-source discrete element framework YADE published under the GPL-2+ free software license. This new capability paves the way for the simulation framework to be used in many new fields such as quantum mechanics. The implementation details and associated gains in the accuracy of the results are discussed. Besides the "standard" double (64 bits)...