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Wyniki wyszukiwania dla: physics
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Selected boron, aluminum, and gallium trihalide and trihydride anions
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The PF6−n(R)n−anions (R = CH3, C2H5;n= 0–6): the dependence of the electronic stability on the number of non-electronegative alkyl ligands
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Thymine dimer repair by electron transfer from photo-excited 2′,3′,5′-tri-O-acetyl-8-oxo-7,8-dihydroguanosine or 2′,3′,5′-tri-O-acetyl-ribosyluric acid – a theoretical study
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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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Gas-phase quasi-degeneracy of zwitterionic and canonical tautomers of glycine and proline induced by the presence of the MAlF4(M = Li, Na, K) salts
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Does the protonation of superhalogen anions always lead to superacids?
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Threshold photoelectron spectra of tetrahydrofuran over the energy range 9-29eV
PublikacjaWykonano pomiary fotoelektronowe widm progowych tetrahydrofuranu C4H8O w zakresie energii fotonów 9-29 eV przy użyciu promieniowania synchrotronowego. Zaobserwowano nowe pasma jonizacyjne w zakresie energii 16-26eV
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High Efficiency Configuration Space Sampling -- probing the distribution of available states
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Relativistic calculations of X-ray photoelectron spectra and the accuracy of the IOTC method*
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Quasirelativistic potential energy curves and transition dipole moments of NaRb
PublikacjaWe report on extensive calculations of quasi-relativistic potential energy curves and, for the first time, transition dipole moments including spin-orbit and scalar-relativistic effects of the NaRb molecule. The calculated curves of the 0+, 0-, 1, 2 and 3 molecular states correlate for large internuclear separation with the fourteen lowest atomic energies up to the Na(3s ^2S_{1/2}) + Rb(7s ^2S_{1/2}) atomic limit. Several new features...
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Influence of excitons interaction with charge carriers on photovoltaic parameters in organic solar cells
PublikacjaWe report on theoretical analysis of excitons annihilation on charge carriers in organic solar cells. Numerical calculations based on transient one-dimensional drift-diffusion model have been carried out. An impact of three quantities (an annihilation rate constant, an exciton mobility and a recombination reduction factor) on current density and concentrations of charge carriers and excitons is investigated. Finally, we discuss...
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Detection of inter-turn faults in transformer winding using the capacitor discharge method
PublikacjaThe paper presents results of an analysis of inter-turn fault effects on the voltage and current waveforms of a capacitor discharge through transformer windings. The research was conducted in the frame of the Facility of Antiproton and Ion Research project which goal is to build a new international accelerator facility that utilizes superconducting magnets. For the sake of electrical quality assurance of the superconducting magnet...
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Multi-state vibronic interactions in the fluorobenzene radical cation: The importance of quadratic coupling terms
PublikacjaThe multi-mode multi-state vibronic interactions in the set of X^2B_1 - D^2A_1 electronic states of the monofluoro benzene radical cation are investigated theoretically, based on a quadratic vibronic coupling approach. The underlying ionization potentials and coupling constants are obtained from ab initio coupled-cluster calculations. Previous investigations (relying on the linear coupling approach) are extended by including all...
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Multi-mode vibronic interactions in the five lowest electronic states of the fluorobenzene radical cation
PublikacjaThe multi-mode vibronic interactions between the five lowest electronic states of the fluorobenzene radical cation are investigated theoretically, based on ab initio electronic structure data, and employing the linear vibronic coupling model. Low-energy conical intersections, and strong vibronic couplings are found to prevail within the set of X-A and B-C-D cationic states, while the interactions between these two sets of states...
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Experimental generation of complex noisy photonic entanglement
PublikacjaWe present an experimental scheme based on spontaneous parametric down-conversion to produce multiple-photon pairs in maximally entangled polarization states using an arrangement of two type-I nonlinear crystals. By introducing correlated polarization noise in the paths of the generated photons we prepare mixed-entangled states whose properties illustrate fundamental results obtained recently in quantum information theory, in particular those...
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Spectroscopic properties of Rhodamine B entrapped in hybrid porous nanolayers at high dye concentration
PublikacjaThe preparation procedure and characterization of Rhodamine B entrapped in zirconia, silica and mixed silica–zirconia nanolayers is described. The nanolayers were produced by the sol–gel spin-coating technique. The pronounced effect of the dye concentration on the absorption and fluorescence spectra as well as on time-resolved fluorescence spectra was found. The results show that the aggregation of Rhodamine B is stronger in silica...
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Predicting the viscosity and electrical conductivity of ionic liquids on the basis of theoretically calculated ionic volumes
PublikacjaSelected 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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Effect of shallow traps on admittance spectra of the system carrying SCLC and on values of charge carrier mobility extracted from susceptance
PublikacjaThe work concerns small-signal spectra of space-charge-limited current below threshold frequency (ft) of shallow traps. It is shown that below ft the small-signal concentration of trapped charge carriers is proportional to and in phase with small-signal concentration of free charge carriers, so there is no room for “slow shallow traps”. Conductance can be reduced by the traps, however no change in the range of real capacitance...
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Relativistic two-dimensional hydrogen-like atom in a weak magnetic field
PublikacjaA 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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Propagation of initially sawtooth periodic and impulsive signals in a quasi-isentropic magnetic gas
PublikacjaThe characteristics of propagation of sawtooth periodic and impulsive signals at a transducer are analytically studied in this work. A plasma under consideration is motionless and uniform at equilibrium, and its perturbations are described by a system of ideal magnetohydrodynamic equations. Some generic heating/cooling function, which in turn depends on equilibrium thermodynamic parameters, may destroy adiabaticity of a flow and...
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Cross sections for electron collision with pyridine [C5H5N] molecule
PublikacjaThe absolute grand -total cross section (TCS) for electron scattering from pyridine, C5H5N, molecules has been measured at impact energies from 0.6 to 300 eV in the linear electron-transmission experiment. The obtained TCS energy dependence appears to be typical for targets of high electric-dipole moment; the cross section generally decreases with rising energy, except for the 3–20 eV range, where a broad enhancement peaked near...
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Anion–water interactions of weakly hydrated anions: molecular dynamics simulations of aqueous NaBF4 and NaPF6
PublikacjaIn aqueous ionic solutions, both the structure and the dynamics of water are altered dramatically with respect to the pure solvent. The emergence of novel experimental techniques makes these changes accessible to detailed investigations. At the same time, computational studies deliver unique possibilities for the interpretation of the experimental data at the molecular level. Here, using molecular dynamics simulations, we demonstrate...
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Some new soliton solutions to the higher dimensional Burger–Huxley and Shallow water waves equation with couple of integration architectonic
PublikacjaIn this paper, we retrieve some traveling wave, periodic solutions, bell shaped, rational, kink and anti-kink type and Jacobi elliptic functions of Burger’s equation and Shallow water wave equation with the aid of various integration schemes like improved -expansion scheme and Jacobi elliptic function method respectively. We also present our solutions graphically in various dimensions.
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Comparative analysis of numerical with optical soliton solutions of stochastic Gross–Pitaevskii equation in dispersive media
PublikacjaThis article deals with the stochastic Gross–Pitaevskii equation (SGPE) perturbed with multiplicative time noise. The numerical solutions of the governing model are carried out with the proposed stochastic non-standard finite difference (SNSFD) scheme. The stability of the scheme is proved by using the Von-Neumann criteria and the consistency is shown in the mean square sense. To seek exact solutions, we applied the Sardar subequation...
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Comparative analysis of the flow control over a circular cylinder with detached flexible and rigid splitter plates
PublikacjaA comparative study is performed on a circular cylinder with both flexible and rigid splitter plates (SPs). This study has the novelty of using single and dual detached SPs located downstream of the cylinder. The dimensionless gap distance between the first splitter plate and the cylinder as well as the distance between the SPs are varied. The strain of flexible SPs can be used for energy harvesting from the flow. Therefore, a...
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Swapping Space for Time: An Alternative to Time-Domain Interferometry
PublikacjaYoung's double-slit experiment [1] requires two waves produced simultaneously at two different points in space. In quantum mechanics the waves correspond to a single quantum object, even as complex as a big molecule. An interference is present as long as one cannot tell for sure which slit is chosen by the object. The more we know about the path, the worse the interference. In the paper we show that quantum mechanics allows for...
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A new simple approach to prepare rare-earth metals-modified TiO2 nanotube arrays photoactive under visible light: Surface properties and mechanism investigation
PublikacjaApplication of Ti90RE10 alloys (RE = Ho, Er, Nd, Y, Ce, Tm) as a working electrode, instead of Ti pure foil in anodic oxidation in a fluoride-based electrolyte, resulted in formation of well-ordered nanotubes made of TiO2 and RE2O3 mixture, which could be efficiently used for pollutant removal from water and air phase upon UV and visible irradiation and easily separable from the reaction mixture to recycle. The as-prepared NTs...
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On description of periodic magnetosonic perturbations in a quasi-isentropic plasma with mechanical and thermal losses and electrical resistivity
PublikacjaMagnetosonic periodic perturbations in a uniform and infinite plasma model are considered. Damping due to compressional viscosity, electrical resistivity, and thermal conduction are taken into account, as well as some heating–cooling function, which may destroy the isentropicity of wave perturbations. The wave vector forms arbitrary angle h with the equilibrium straight magnetic field, and all perturbations are functions...
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Zero-range potentials for Dirac particles: Bound-state problems
PublikacjaA model in which a massive Dirac particle in $\mathbb{R}^{3}$ is bound by $N\geqslant1$ spatially distributed zero-range potentials is presented. Interactions between the particle and the potentials are modeled by subjecting a particle's bispinor wave function to certain limiting conditions at the potential centers. Each of these conditions is parametrized by a $2\times2$ Hermitian matrix (or, equivalently, a real scalar and a...
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Unusual divergence of magnetoacoustic beams
PublikacjaTwo-dimensional magnetosonic beams directed along a line forming a constant angle h with the equilibrium straight magnetic field are considered. Perturbations in a plasma are described by the system of ideal magnetohydrodynamic equations. The dynamics of perturbations in a beam are different in the cases of fast and slow modes, and it is determined by h and equilibrium parameters of a plasma. In particular, a beam divergence may...
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Born–Oppenheimer potential energy curves of NaK from the optimised atomic basis sets
PublikacjaThe article presents adiabatic potential energy curves of the ground and excited electronic states for the diatomic NaK molecule. The calculations were made using the ab initio computational methods to include electron correlation. The studied molecule was calculated as the effective two-electron problem, in which only the valence electrons of the molecule are explicitly taken into account. The remaining electrons with atomic nuclei...
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Magnetoacoustic heating in a quasi-isentropic magnetic gas
PublikacjaThe nonlinear heating of a plasma which associates with the transfer of energy of magnetoacoustic waves into that of the entropy mode, is analytically studied. A plasma is uniform and motionless at equilibrium. Perturbations in a plasma are described by a system of ideal magnetohydrodynamic equations. The equilibrium straight magnetic strength and the wave vector form a constant angle which varies from 0 to π/2. There exist four...
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Collision-induced luminescence spectra of pyridine bombarded by 1000 eV He+ cations
PublikacjaHere we show collision-induced luminescence spectra measured for collisions of the He+cations with thearomatic six-membered ring of the pyridine molecule (C5H5N). Distinct emission bands due to the CH(A2Δ→X2Πr;B2Σ+→X2Πr;C2Σ+→X2Πr), CN(B2Σ+→X2Σ+), C2(d3Πg→a3Πu), and NH(A3Π→X3Σ−) transitions, aswell as atomic H, He, and C lines have been observed. Apart from the He atoms, all the emitters arise from thefragmentation of the pyridine...
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Hysteresis curves for some periodic and aperiodic perturbations in magnetosonic flow
PublikacjaA thermodynamic relation between perturbations of pressure and mass density in the magnetohydrodynamic flow is theoretically studied. Planar magnetohydrodynamic perturbations with the wave vector, which forms a constant angle with the equilibrium magnetic field, are under study. The theory considers thermal conduction of a plasma and the deviation from adiabaticity of a flow due to some kind of heating–cooling function. It also...
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Time travel without paradoxes: Ring resonator as a universal paradigm for looped quantum evolutions
PublikacjaA ring resonator involves a scattering process where a part of the output is fed again into the input. The same formal structure is encountered in the problem of time travel in a neighborhood of a closed timelike curve (CTC). We know how to describe quantum optics of ring resonators, and the resulting description agrees with experiment. We can apply the same formal strategy to any looped quantum evolution, in particular to the...
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Adaptive neuro fuzzy and fuzzy decision tree classifiers as applied to sea floor characterization.
PublikacjaPrzedstawiono wyniki badań wpływu różnych parametrów echa odbitego od dna morskiego na dokładność klasyfikacji typu dna przy pomocy sieci neuronowej z logiką rozmytą i przy pomocy drzew decyzyjnych. W szczególności uwzględniono takie parametry echa jak: energia, amplituda i nachylenie opadającego zbocza, wzbogacone o współczynniki falkowe otrzymane z dyskretnej transformacji falkowej (DWT).
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Derivation of Schwinger variational principles.
PublikacjaZastosowano metodę Gerjuoy-Rau-Sprucha do skonstruowania zasad wariacyjnych Schwingera dla elementów macierzowych uogólnionego operatora przejścia.
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Lithium ion insertion into poly(3,4-ethylenedioxythiophene) films from propylene carbonate electrolytes.
PublikacjaPolimerowa matryca złożona z poli(3,4-etylenodioksytiofenu z poli(styrenosulfonianem) otrzymana została na drodze syntezy elektrochemicznej. Transport jonowy w matrycy polimerowej w kontakcie z węglanem propylenu zawierającym LiClO4 został scharakteryzowany za pomocą metody impedancji ac oraz chronowoltoamperometrii. Wyznaczono przewodność jonową matrycy oraz efektywne współczynniki dyfuzji dla kationu Li+. Wielkości te...
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States of light via reducible quantization.
PublikacjaRelatywistyczne sformułowanie kwantowania pola opartego o redukowalne reprezentacje kanonicznych związków komutacyjnych. Konstrukcja stanów fokowskich i koherentnych. Analiza automatycznej regularyzacji rozbieżności w podczerwieni. Twierdzenie o granicy termodynamicznej.
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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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Piecewise continuous distribution function method in the theory of wave disturbances of inhomogeneous gas
PublikacjaUkład równań typu hydrodynamicznego dla warstwowych gazów w polu grawitacyjnym pochodzi od równania BGK metodą częściowej ciągłej funkcji dystrybucji. Otrzymany system równań uogólnia układ Naviera-Stokesa w dowolnych liczbach Knudsena.
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Calculation of adiabatic potentials of Li2
PublikacjaInformujemy o adiabatycznych krzywych energii potencjalnej cząsteczki litu. Nasze krzywe są stabelowane według odległości międzyatomowej od 3,2 a0 do 88a0. Porównujemy nasze wyniki teoretyczne z wynikami obliczonymi przez innych autorów oraz krzywymi energii potencjalnej wyprowadzonymi z eksperymentów. W naszym podejściu używamy metody konfiguracji wzajemnego oddziaływania, gdzie tylko elektrony walencyjne atomu Li są traktowane...
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Comment on "On accurate capacitance characterization of organic photovoltaic cells"
PublikacjaIn the 100th volume of Applied Physics Letters Carr and Chaudhary have presented a work on capacitance characterization of organic photovoltaic cells. The work concerns small signal measurements of various organic photovoltaic structures. The authors however limit their considerations to one part of small signal response, namely to capacitance measured either in parallel mode or in series mode. This attitude generally does not...
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Quantum Coherence as a Resource
PublikacjaThe coherent superposition of states, in combination with the quantization of observables, represents one of the most fundamental features that mark the departure of quantum mechanics from the classical realm. Quantum coherence in many-body systems embodies the essence of entanglement and is an essential ingredient for a plethora of physical phenomena in quantum optics, quantum information, solid state physics, and nanoscale thermodynamics....
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Experimental certification of more than one bit of quantum randomness in the two inputs and two outputs scenario
PublikacjaOne of the striking properties of quantum mechanics is the occurrence of the Bell-type non-locality. They are a fundamental feature of the theory that allows two parties that share an entangled quantum system to observe correlations stronger than possible in classical physics. In addition to their theoretical significance, non-local correlations have practical applications, such as device-independent randomness generation, providing...
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YADE - An extensible framework for the interactive simulation of multiscale, multiphase, and multiphysics particulate systems
PublikacjaThis contribution presents the key elements of YADE, an extensible open-source framework for dynamic simulations. During the past 19 years, YADE has evolved from "Yet Another Dynamic Engine"' to a versatile multiscale and multiphysics solver, counting a large, active, and growing community of users and developers. The computationally intense parts of the source code are written in C++, using flexible object models that allow for...
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Formation of CN (B2Σ+) radicals in the vacuum-ultraviolet photodissociation of pyridine and pyrimidine molecules
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O 1s excitation and ionization processes in the CO2molecule studied via detection of low-energy fluorescence emission
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Superexcited states in the vacuum-ultraviolet photofragmentation of isoxazole molecules
PublikacjaThe photofragmentation of isoxazole molecules producing excited atomic and molecular fragments has been investigated over the energy range 16-50 eV, using photon-induced fluorescence spectroscopy. The following fragments have been identified by their fluorescence: the excited hydrogen atoms H(n), n = 3-7 and the diatomic CH(A2Δ, B2Σ−), CN(B2Σ+) and C2(d3Πg) fragments. The diatomic fragments are vibrationally and highly rotationally...
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Electron collisions with ethylene oxide molecules
PublikacjaZmierzono całkowite przekroje czynne na rozproszenie elektronów na drobinach tlenku etylenu w zakresie energii od 0.7 do 400 eV. Obliczono przekroje czynne na zderzenia sprężyste oraz przekroje czynne na jonizację. Otrzymane wyniki obliczeń są zgodne z wynikami eksperymentalnymi w pokrywającym się przedziale energii zderzenia. Wyniki uzyskane dla tlenku etylenu porównano z przekrojami czynnymi dla jego izoelektronowego odpowiednika...