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Direct estimation of elements of algebra of quantum states and entanglement detection via linear contraction.
PublikacjaWykazano możliwość obliczenia elementów algebry generowanej przez macierze bez uprzedniej rekonstrukcji stanu. Ponadto wykazano, że pewne testy separowalności oparte o liniowe operacje zwężające można przeprowadzić bez uprzedniej rekonstrukcji badanych stanów.
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Molecular Dynamics to Predict Cryo-EM: Capturing Transitions and Short-Lived Conformational States of Biomolecules
PublikacjaSingle-particle cryogenic electron microscopy (cryo-EM) has revolutionized the field of the structural biology, providing an access to the atomic resolution structures of large biomolecular complexes in their near-native environment. Today’s cryo-EM maps can frequently reach the atomic-level resolution, while often containing a range of resolutions, with conformationally variable regions obtained at 6 Å or worse. Low resolution...
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Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules
PublikacjaFormation 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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Highly Occupied Surface States at Deuterium-Grown Boron-Doped Diamond Interfaces for Efficient Photoelectrochemistry
PublikacjaPolycrystalline boron-doped diamond is a promising material for high-power aqueous electrochemical applications in bioanalytics, catalysis, and energy storage. The chemical vapor deposition (CVD) process of diamond forma-tion and doping is totally diversified by using high kinetic energies of deu-terium substituting habitually applied hydrogen. The high concentration of deuterium in plasma induces atomic arrangements and steric...
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Variational principles for bound states of Schrödinger and Dirac equations allowing the use of discontinuous trial functions
PublikacjaWe present systematic constructions of variational principles for energies of bound states of the Schroedinger and Dirac equations. The principles allow the use of discontinuous trial functions. The method employed is based on a generalized Lagrange procedure. Relationships between our variational principles and those available in the literature are established.
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Comparison of Renewable Energy Sources in ‘New’ EU Member States in the Context of National Energy Transformations
PublikacjaThe European Union strives to create sustainable, low-carbon economies; therefore, energy policies of all member states should move towards renewable energy sources (RES). That concerns also the so-called new EU member states. These countries, on the one hand, are characterized by significant historical similarities in terms of post-communist legacy and adopted development strategies linked with the EU membership, and on the other...
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Photofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region via superexcited states studied by fluorescence spectroscopy
PublikacjaPhotofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region, producing excited atomic and molecular fragments, has been studied over the energy range 14-68 eV using photon-induced fluorescence spectroscopy. Excited hydrogen atoms H(n), n = 3-11, have been detected by observation of the Hα to Hı lines of the Balmer series. The diatomic CH(A2Δ), CH(B2Σ-) and C2(d3Πg) fragments, which are excited to low vibrational...
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Photofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region via superexcited states studied by fluorescence spectroscopy
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The von Neumann entanglement entropy for Wigner-crystal states in one dimensional N-particle systems
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Innovativeness and Competitiveness of the New European Union States in Variable Economic Situation between 2006 and 2013
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Central and Eastern European states in global production linkages: country-level and sector-level analysis
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Simulation of the Remanence Influence on the Transient States of the Single-Phase Transformer Including Feedback Preisach Model
PublikacjaThis paper presents the results of the experimental and simulation investigation concerning the influence of remanence in the core of a single-phase transformer at the no-load transient state. Experimental studies consisted of the discharge of the capacitor through the primary winding at several different values of the residual magnetic flux. The paper presents a model of the transformer test system, taking into account the magnetic...
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The nature of emitting states in electroluminescence of polymeric films do-ped with anthracene andanthracene-based supramolecules
PublikacjaZaobserwowano nową odmianę bi-molekularnych stanów wzbudzenia elektronowego w polimerowych jednowarstwowych diodach EL z molekułami antracenu wbudowanymi bezpośrednio w matrycę poliwęglanową, jak i pośrednio przez ich włączenie jako grup chromoforowych w dużych makromolekułach rotaxanowych. Stwierdzono, że obok typowej emisji ekscymerowej pojawia się długofalowe pasmo elektromerowe. Pasmo to związane jest z emisją kolumbowsko związanych...
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Singlet and triplet excited states of a series of BODIPY dyes as calculated by TDDFT and DLPNO-STEOM-CCSD methods
PublikacjaThe singlet and triplet excited states of three iodine substituted BODIPY dyes differing by their substituent (-phenyl, -phenylOH and -phenylNO2) at the meso position of the BODIPY core (BOD) are investigated by (TDA)-TDDFT and DLPNO-STEOM-CCSD calculations. An assessment of hybrid (B3LYP and MN15) and double hybrid (SOS-PBE-QIDH and SOS-ωPBEPP86) exchange-correlation functionals is performed with respect to the DLPNO-STEOM-CCSD...
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Charge density wave, enhanced mobility, and large nonsaturating magnetoresistance across the magnetic states of HoNiC2 and ErNiC2
PublikacjaWe report on magnetotransport and thermoelectric properties of two ternary carbides HoNiC2 and ErNiC2 hosting both charge density wave and long-range magnetic order. In the charge density wave state, both compounds show relatively large magnetoresistance MR ≈ 150% in HoNiC2 and ≈ 70%in ErNiC2 at a magnetic field of 9 T and temperature as low as 2 K. This positive field-linear magnetoresistance shows no signatures of saturation....
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Quenching of bright and dark excitons via deep states in the presence of SRH recombination in 2D monolayer materials
PublikacjaTwo-dimensional (2D) monolayer materials are interesting systems due to an existence of optically non-active dark excitonic states. In this work, we formulate a theoretical model of an excitonic Auger process which can occur together with the trap-assisted recombination in such 2D structures. The interactions of intravalley excitons (bright and spin-dark ones) and intervalley excitons (momentum-dark ones) with deep states located...
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Electronic States of Tris(bipyridine) Ruthenium(II) Complexes in Neat Solid Films Investigated by Electroabsorption Spectroscopy
PublikacjaWe present the electric field-induced absorption (electroabsorption, EA) spectra of the solid neat films of tris(bipyridine) Ru(II) complexes, which were recently functionalized in our group as photosensitizers in dye-sensitized solar cells, and we compare them with the results obtained for an archetypal [Ru(bpy)3]2+ ion (RBY). We argue that it is difficult to establish a unique set of molecular parameter values by discrete parametrization...
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Can unequal distributions of wealth influence vote choice? A comparative study of Germany, Sweden and the United States.
PublikacjaIt is widely accepted that income influences voting behavior. Does wealth? Is the effect similar across countries? Studies of wealth and voting behavior have not existed until recently, in part because of the absence of data on wealth holdings. The findings in this chapter indicate that wealth is related to voting behavior in some countries but not in others. The chapter models the effects of wealth on one form of voting behavior,...
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Examination of advanced isotropic constitutive laws under complex stress states in plain and reinforced concrete specimens
PublikacjaThe performance of advanced isotropic constitutive laws under complex stress states in plain and reinforced concrete specimens is investigated. Three different formulations are chosen: original Mazars model, Mazars mi model and model proposed by Pereira and coworkers. The degradation of the material in all formulations is described via a single variable, but a strain/stress state is taken into account via quite sophisticated relationships....
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A la recherche d’une coherence perdue – Possible Arguments for the Non-application of EU Law in Member States
PublikacjaThe European Union (EU) is an international organization which has a broad scope of competences that have been transferred to it by its Member States in the founding Treaties. The object of the article is to identify arguments raised, or that potentially might be raised, by national Constitutional Courts (and in the future possibly by other actors as well) to exclude in certain instances the application of EU law or EU jurisprudence...
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Density functional LCAO calculations of vibrational modes and phonon density of states in the strained single-layer phosphorene
PublikacjaThe paper presents an investigation of phosphorene under axial strain on the phonon density of states and vibrational modes. The studies were performed by means of density functional theory (DFT) within the linear combination of atomic orbitals (LCAO). The strained models were constructed using optimised supercell techniques. The vibrational mode spectra were estimated for strains applied for both the zigzag and armchair directions...
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The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods
PublikacjaWe present a comprehensive experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectrum of dichloromethane, CH 2 Cl 2 , with absolute cross sections determined for the full 5.8–10.8 eV energy-range. The calculations on the vertical excitation energies and oscillator strengths were performed using the equation-of-motion coupled cluster method, restricted to the single and double excitations level (EOM-CCSD), and...
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The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods
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Facile and cost-effective technique to control europium oxidation states in glassy fluorophosphate matrices with tunable photoluminescence
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Electron Binding Capabilities of Some Silylenes Having Small Singlet−Triplet Splittings or Triplet Ground States
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Impurity trapped exciton states related to rare earth ions in crystals under high hydrostatic pressure
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Alternative approach to the solution of the momentum-space Schrödinger equation for bound states of the N-dimensional Coulomb problem
PublikacjaW pracy rozważono zagadnienie Schrödingera-Coulomba w R^N, N>=2, w reprezentacji pędowej. Radialne równanie całkowe występujące w stowarzyszonym zagadnieniu sturmowskim rozwiązano, stosując podane przez Ossiciniego symetryczne rozwinięcie typu Poissona funkcji Legendre'a drugiego rodzaju w szereg iloczynów wielomianów Gegenbauera. Następnie wykorzystano relację pomiędzy rozwiązaniami zagadnienia sturmowskiego oraz zagadnienia własnego...
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EEG data recorded in three mental states
Dane BadawczeElectroencephalographic (EEG) signals were acquired from 17 (14 males, 3 females) participants aged between 20 and 30 years.
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MODELLING OF TOXIC COMPOUNDS EMISSION IN MARINE DIESEL ENGINE DURING TRANSIENT STATES AT VARIABLE PRESSURE OF FUEL INJECTION
PublikacjaTransient states are an important part of the spectrum of engine loads, especially the traction engines. In the case of marine diesel engines, transient states are of particular importance in reducing the analysis of motion units for special areas and maneuvering in port, the participation of transient states in the load spectrum significantly increases, also, the emission of toxic compounds from this period increases proportionally....
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Poverty and social exclusion in the transition Baltic States during the implementation of the European Union Lisbon Strategy - comparative analysis
PublikacjaThe problem of poverty and social exclusion in the Baltic States generates serious social, economic and political consequences. The scope of the analysis includes primarily the scale and structure of poverty and social exclusion in the Baltic Region in the years 2004-2010 in the context of the Lisbon Strategy of the European Union. The results show that during the transition and implementation of the Lisbon Strategy, the problem...
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Quantum key distribution based on private states: Unconditional security over untrusted channels with zero quantum capacity
PublikacjaIn this paper, we prove unconditional security for a quantum key distribution (QKD) protocol based on distilling pbits (twisted ebits) from an arbitrary untrusted state that is claimed to contain distillable key. Our main result is that we can verify security using only public communication-via parameter estimation of the given untrusted state. The technique applies even to bound-entangled states, thus extending QKD to the regime...
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Dipole-bound anions supported by charge-transfer interaction: valence- and dipole-bound anionic states of H3N→BF3
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Polarization effects, shape resonances and bound states in low energy positron elastic scattering by Zinc and Cadmium vapours
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Structural change in New Member States (1995-2005): shift-share analysis of productivity growth and its determinants
PublikacjaThe chapter focuses on the latest developments in ten New MemberStates (presented vis-à-vis EU-15countries), seen from the perspective of structural change and quality upgrading of their economic structures. In particular, recently released disaggregated labor statistics are used,allowing to analyse the process of labor reallocation and productivitychanges associated with inter-and intra-industrystructural change. Since the mid-1990s...
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Structural Change in New Member States (1995–2005): Shift–Share Analysis of Productivity Growth and its Determinants
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Central and Eastern European States from an International Perspective: Economic Potential and Paths of Participation in Global Value Chains
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublikacjaWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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Optimising approach to designing kernel PCA model for diagnosis purposes with and without a priori known data reflecting faulty states
PublikacjaFault detection plays an important role in advanced control of complex dynamic systems since precise information about system condition enables efficient control. Data driven methods of fault detection give the chance to monitor the plant state purely based on gathered measurements. However, they especially nonlinear, still suffer from a lack of efficient and effective learning methods. In this paper we propose the two stages learning...
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Low energy inelastic electron scattering from carbon monoxide: I. excitation of the a3Π, a’3Σ+ and AΠ1 electronic states.
PublikacjaDifferential scattering cross sections for electron excitation of the three lowest excited electron states of carbon monoxide are obtained experimentally using low-energy electron energy-loss spectroscopy and theoretically using the R-matrix method. The incident electron energies range from near-threshold of 6.3 eV to 20 eV. Experimental scattering angles range from 20◦ to 120◦. The normalization of the experimental cross sections...
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Positron collisions with molecular hydrogen: cross sections and annihilation parameters calculated using theR-matrix with pseudo-states method
PublikacjaThe molecular R-matrix with pseudo-states (MRMPS) method is employed to study positron collisions with H2. The calculations employ pseudo-continuum orbital sets containing up to h (l = 5) functions. Use of these high l functions is found to give converged eigenphase sums. Below the positronium formation threshold, the calculated cross sections agree with other high-accuracy theories and generally with the measurements. Calculation...
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Cascading transitions toward unconventional charge density wave states in the quasi-two-dimensional monophosphate tungsten bronze P4W16O56
PublikacjaSingle crystals of the m = 8 member of the low-dimensional monophosphate tungsten bronzes (PO2)4(WO3)2m family were grown by chemical vapour transport technique and the high crystalline quality obtained allowed a reinvestigation of the physical and structural properties. Resistivity measurements revealed three anomalies at TC1 = 258 K, TC2 = 245 K and TC3 = 140 K, never observed until now. Parallel X-ray diffraction investigations...
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Development of an Advanced Control Algorithm for DAB DC/DC Converters: Inrush Current Limitation and Enhanced Operation in Transient States.
PublikacjaThe publication addresses the dynamic state challenges encountered during development of a dual active bridge (DAB) converter within DC microgrid systems. The conventional startup method is identified as instigating a cascade of unfavorable outcomes, encompassing elevated starting current, transformer current asymmetry, DC voltage distortions, EMI and heightened thermal stress on semiconductor components. Additionally, it necessitates...
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On Raman optical activity sign-switching between the ground and excited states leading to an unusual resonance ROA induced chirality
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ICT technologies and financial innovations: The case of exchange traded funds in Brazil, Japan, Mexico, South Korea and the United States
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Study of ultraviolet-visible fluorescence emission following resonant Auger decay of the 2p-1nl core-excited states of argon atoms
PublikacjaWe have studied the excitation and relaxation of Ar+ ions populated in resonant Auger decay from the Ar 2p−1nl core-excited states by using ultraviolet-visible fluorescence spectroscopy and photon-photon delayed coincidence technique. Fluorescence emission yields were measured in the photon energy range of 240-–255 eV for the 3s23p4(1D)5s(2D) → 3s23p4(1D)4p(2F) (393 nm) and 3s23p4(1D)4d(2F) → 3s23p4(1D)4p(2F) (335 nm) transitions...
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Soft X-ray Induced Production of Neutral Fragments in High-Rydberg States at the O 1s Ionization Threshold of the Water Molecule
PublikacjaDissociation of water molecules after soft X-ray absorption can yield neutral fragments in high-Rydberg (HR) states. We have studied the production of such fragments by field ionization and ion time-of-flight (TOF) spectrometry. Neutral HR fragments are created at all resonances below the O 1s ionization potential (IP) and particularly within 1 eV above the O 1s IP. The latter effect is due to the recapture of the O 1s photoelectrons...
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Improvement of the Treatment of Loop Structures in the UNRES Force Field by Inclusion of Coupling between Backbone- and Side-Chain-Local Conformational States
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Charge transfer and europium trapped exciton states in Eu<sup>3+</sup>/Eu<sup>2+</sup> doped phosphors
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Analysis and assessment of the acoustic emission suitability for determination of the energy states of a tribological system in the form of a four-ball tester friction node
PublikacjaThe present operating safety and cost reduction requirements of the compression ignition engines make it necessary to search for new methods of detecting their defects, e.g. by the analysis of acoustic emission signals coming from the slide bearings. The paper presents non-destructive measurements of acoustic emission (AE) in order to obtain information on the processes taking place in a tribological system under the continuously...
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Mo93m isomer depletion via nuclear excitation by electron capture in resonant transfer into highly excited open-shell atomic states
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