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Catalog Publications
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On the Nonlinear Effects of Magnetoacoustic Perturbations in Optically Thin Quasi-Isentropic Plasmas
PublicationNonlinear effects of planar magnetosound perturbations in a plasma are discussed. Plasma is non-adiabatic due to optically thin radiation and external heating. For these reasons, thermal instability of a plasma may appear which makes it acoustically active. The plasma is assumed to be initially homogeneous ideal gas with infinite electrical conductivity permeated by a straight magnetic field which is orthogonal to the trajectories...
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Dipole-driven dynamics for near-threshold electron/positron interactions with pyrimidinic DNA bases: a path to compound formations
PublicationCalculations are reported for electron and positron scattering from isolated cytosine and thymine, where the two pyrimidinic single-ring DNA bases, in the gas-phase at energies near the elastic threshold, they reveal the special features of the dipole-driven scattering states. All molecules examined exhibit, in fact, supercritical (>1.67 D) permanent dipoles which can therefore also support, below threshold, excited bound compound...
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The nonlinear effects of sound in a liquid with relaxation losses
PublicationThe nonlinear effects of sound in electrolyte with a chemical reaction are examined. The dynamic equations that govern non-wave modes in the field of intense sound are derived, and acoustic forces of vortex, entropy, and relaxation modes are determined in the cases of low-frequency sound and high-frequency sound. The difference in the nonlinear effects of sound in electrolyte and in a gas with excited vibrational degrees of molecules,...
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The POCOBIO Database for Computed Scattering Cross-Sections for Positron Collisions with Biomolecular Systems
PublicationThe design of a database for positron interactions with biomolecular systems is outlined. The database contains only scattering cross sections, which are derived from theory. The data model is defined in a very flexible way, which facilitates the usage of weakly bound clusters of molecules and molecular systems with many tautomeric forms.
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Continuum wave functions for estimating the electric dipole moment: Calculation based on a multiconfiguration Dirac-Hartree-Fock approximation
PublicationThe multiconfiguration Dirac-Hartree-Fock method is employed to calculate the continuum electron wave functions, which are then used to estimate their contribution to the atomic electric dipole moment (EDM) of 129Xe. The EDM arises from (P,T)-odd electron-nucleon tensor-pseudotensor and pseudoscalar-scalar interactions, the nuclear Schiff moment, the interaction of the electron electric dipole moment with nuclear magnetic moments,...
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Nonlinear Interaction of Modes in a Planar Flow of a Gas with Viscous and Thermal Attenuation
PublicationThe nonlinear interaction of wave and non-wave modes in a gas planar flow are considered. Attention is mainly paid to the case when one sound mode is dominant and excites the counter-propagating sound mode and the entropy mode. The modes are determined by links between perturbations of pressure, density, and fluid velocity. This definition follows from the linear conservation equations in the differential form and thermodynamic...
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Thermal self-action effects of acoustic beam in a vibrationally relaxing gas
PublicationThermal self-action of acoustic beam in a molecular gas with excited internal degrees of molecules’ freedom, is studied. This kind of thermal self-action differs from that in a Newtonian fluid. Heating or cooling of a medium takes place due to transfer of internal vibrational energy. Equilibrium and non-equilibrium gases, which may be acoustically active, are considered. A beam in an acoustically active gas is self-focusing unlike...
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Intrinsic asymmetry with respect to adversary: a new feature of Bell inequalities
PublicationIt is known that the local bound of a Bell inequality is sensitive to the knowledge of the external observer about the settings statistics. Here we ask how that sensitivity depends on the structure of that knowledge. It turns out that in some cases it may happen that the local bound is much more sensitive to the adversaryʼs knowledge about the settings of one party than the other. Remarkably, there are Bell inequalities which are...
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Piecewise continuous distribution function method: Fluid equations and wave disturbances at stratified gas
PublicationUkład 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. Rozwiązania WBK dla ultradźwięku wprowadza się w przypadku stratyfikacji exponecjalnej.
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Aspects of multistation quantum information broadcasting
PublicationWe study quantum information transmission over multiparty quantum channel. In particular, we show an equivalence of different capacity notions and provide a multiletter characterization of a capacity region for a general quantum channel with k senders and m receivers. We point out natural generalizations to the case of two-way classical communication capacity. (C) 2010 Elsevier B.V. All rights reserved.
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Instantaneous Heating and Cooling Caused by Periodic or Aperiodic Sound of Any Characteristic Duration in a Gas with Vibrational Relaxation
PublicationThermodynamic relaxation of internal degrees of a molecule's freedom in a gas occurs with some characteristic time. This makes wave processes in a gas behave differently depending on the ratio of characteristic duration of perturbations and the relaxation time. In particular, generation of the secondary non-wave modes by intense sound in a nonlinear flow dependens on frequency. These kinds of interaction are considered in this...
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Photoelectron spectroscopy of a series of acetate and propionate esters
PublicationThe electronic state and photoionization spectroscopy of a series of acetate esters: methyl acetate, isopropyl acetate, butyl acetate and pentyl acetate as well as two propionates: methyl propionate and ethyl propionate, have been determined using vacuum-ultraviolet photoelectron spectroscopy. These experimental investigations are complemented by ab initio calculations. The measured first adiabatic and vertical ionization energies...
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Generation of the vorticity Mode by Sound in a Relaxing Maxwell Fluid
PublicationPraca dotyczy nowej teorii akustyki nieliniowej badającej związki modu akustycznego z modem wirowym w płynach z relaksacją maxwellowską. Wyprowadzone zostało równanie ewolucyjne dla modu wirowego wywołanego dźwiękiem, które można stosować zarówno do dźwięków okresowych, jak i aperiodycznych. Przedstawiono przykłady generacji modu wirowego w płynie maxwellowskim z relaksacją wywołanego okresową i aperiodyczną falą dźwiękową.
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Wavepacket of the Universe and its Spreading
PublicationWavepackets in quantum mechanics spread and the Universe in cosmology expands. We discuss a formalism where the two effects can be unified. The basic assumption is that the Universe is determined by a unitarily evolving wavepacket defined on space-time. Space-time is static but the Universe is dynamic. Spreading analogous to expansion known from observational cosmology is obtained if one regards time evolution as a dynamical process...
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Bound on Bell inequalities by fraction of determinism and reverse triangle inequality
PublicationIt is an established fact that entanglement is a resource. Sharing an entangled state leads to nonlocal correlations and to violations of Bell inequalities. Such nonlocal correlations illustrate the advantage of quantum resources over classical resources. In this paper, we quantitatively study Bell inequalities with 2 × n inputs. As found in Gisin et al. [Int. J. Quantum. Inform. 05, 525 (2007)], quantum mechanical correlations...
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Hysteresis curves for some periodic and aperiodic perturbations in gases
PublicationEvolution of sound in a medium whose properties irreversibly vary in the course of wave propagation, is studied. For example, a gas that is a particular case of a Newtonian fluid is considered. Hysteresis curves, pictorial representations of irreversible attenuation of the sound energy, in the plane of thermodynamic states are plotted. The irreversible losses in internal energy are proportional to the total attenuation and depend...
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The equations for interactions of polarization modes in optical fibres including the kerr effect
PublicationWe have derived coupled nonlinear Schro¨ dinger equations (CNLSE) for arbitrary polarized light propagation in a single-mode fibre employing electromagnetic field complete description. We used a basis of transverse eigenmodes with appropriate projecting; hence, the nonlinear constants depend on the waveguide geometry. Accounting for a weak nonlinearity, which is connected to the Kerr effect, we have given explicit expressions for...
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Fidelity thresholds in single copy entanglement distillation
PublicationRozważono różne aspekty destylacji zaszumionego splątania oraz pewne stowarzyszone efekty w kwantowej korekcji błędów. W szczególności pokazano, że w przypadku gdy dozwolona jest komunikacja klasyczna w jedną stronę oraz współdzielony stan kwantowy dxd nie jest czysty, to istnieje próg dla optymalnego ułamka F stanu, który może być otrzymany w procesie destylacji na jednej kopii. Wynika z tego, że aby otrzymać (probabilistycznie)...
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Standing Acoustic Waves and Relative Nonlinear Phenomena in a Vibrationally Relaxing Gas-Filled Resonator
PublicationStanding acoustic waves in one-dimensional resonator filled with vibrationally relaxing gas, are studied. Two regimes of excitation of molecular vibrational degrees of freedom are considered, equilibrium and nonequilibrium. The acoustic energy enlarges with time in the non-equilibrium regime and decreases otherwise before formation of discontinuity. After that, it decreases due to nonlinear absorption and tends to zero in equilibrium...
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Nonlinear Influence of Sound on the Vibrational Energy of Molecules in a Relaxing Gas
PublicationDynamics of a weakly nonlinear and weakly dispersive flow of a gas where molecular vibrational relaxation takes place is studied. Variations in the vibrational energy in the field of intense sound is considered. These variations are caused by a nonlinear transfer of the acoustic energy into energy of vibrational degrees of freedom in a relaxing gas. The final dynamic equation which describes this is instantaneous, it includes a...
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Generation of the vorticity mode by sound in a vibrationally relaxing gas
PublicationW badaniu została przedstawiona procedura wyprowadzenia nowego równania dla modu wirowego generowanego przez ultradźwięki w gazach z pobudzonymi stopniami swobody. Pokazano, że w pewnych warunkach kierunek linii prądu dla modu wirowego jest przeciwny w porównaniu do płynów ze standardowym tłumieniem. Teoria została zilustrowana na przykładzie generowania modu wirowego przez okresową wiązkę akustyczną ze słabą dyfrakcją poprzeczną.
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
PublicationAb initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer potential energy surfaces of the Li atom interacting with the LiCs molecule were calculated for these states. The lithium atom is placed at various distances and bond angles from the lithium-caesium dimer. Three-body nonadditive forces...
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Zero-knowledge convincing protocol on quantum bit is impossible
PublicationIt is one of fundamental features of quantum formalism that o n one hand it provides a new infor- mation processing resources and on the other hand puts funda mental constraints on the processing of quantum information implying “no-go” theorems for cloni ng [1–3], bit commitment [4, 5] and deleting [6] in quantum theory. Here we ask about possibilit y of “zero knowledge” scenario which, for its simplicity, can be considered as...
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Hysteresis curves and loops for harmonic and impulse perturbations in some non-equilibrium gases
PublicationEvolution of sound in a relaxing gas whose properties vary in the course of wave propagation, is studied. A relaxing medium may reveal normal acoustic properties or be acoustically active. In the first case, losses in acoustic energy lead to an increase in internal energy of a gas similarly as it happens in Newtonian fluids. In the second case, acoustic energy increases in the course of sound propagation, and the internal energy...
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Self-refraction of acoustic pulses with shock fronts in some nonequilibrium media
PublicationThe nonlinear self-refraction of acoustic pulsed beams, which include shock fronts, is studied. The medium of sound propagation is a gas where thermodynamically nonequilibrium processes take place, such as exothermic chemical reaction or excitation of vibrational degrees of a molecule’s freedom. Comparative analysis of the features of sound propagation over gases where pure nonlinear attenuation of the shock wave occurs, and gases...
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Information Processing and Fechner’s Problem as a Choice of Arithmetic
PublicationFechner’s law and its modern generalizations can be regarded as manifestations of alternative forms of arithmetic, coexisting at stimulus and sensation levels. The world of sensations may be thus described by a generalization of the standard mathematical calculus.
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Influence of orientational disorder on the optical absorption properties in hybrid metal‐halide perovskite CH3NH3PbI3. A combined DFT/TD‐DFT and experimental study.
PublicationAn experimental and theoretical investigation is reported to analyze the relation between the structural and absorption properties of CH3NH3PbI3 in the tetragonal phase. More than 3000 geometry optimizations were performed in order to reveal the structural disorder and to identify structures with the lowest energies. The electronic structure calculations provide an averaged band gap of 1.674 eV, which is in excellent agreement...
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The vortex flow caused by sound in a bubbly liquid
PublicationGeneration of vorticity in the field of intense sound in a bubbly liquid in the free half-space is considered. The reasons for generation of vorticity are nonlinearity, diffraction, and dispersion. Acoustic streaming differs from that in a Newtonian fluid. Under some conditions, the vortex flow changes its direction. Conclusions concern streaming induced by a harmonic or an impulse Gaussian beam.
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The 41Σ+ electronic state of LiCs molecule
PublicationThe 41Σ+ state of LiCs molecule is observed experimentally for the first time. The inverted perturbation approach (IPA) method is used to derive the potential energy curve of the state from the measured spectra. The experiment is accompanied by theoretical calculations of adiabatic potentials for excited states in LiCs including 41Σ+, performed with the MOLPRO program package. The irregular shape of the 41Σ+ state potential predicted...
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Multimode systems of nonlinear equations: derivation, integrability, and numerical solutions
PublicationWe consider the propagation of electromagnetic pulses in isotropic media taking a third-order nonlinearityinto account. We develop a method for transforming Maxwell's equations based on a complete set ofprojection operators corresponding to wave-dispersion branches (in a waveguide or in matter) with thepropagation direction taken into account. The most important result of applying the method is a systemof equations describing the...
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Propagation of acoustic pulses in some fluids with yield stress
PublicationThis study is devoted to the derivation of approximate equations governing acoustic pulses in flows with yieldstress, including some time-dependent flows with a slow dependence on time of yield stress and apparent viscosity. Themodeling of yield stress and apparent viscosity in the vicinity of a zero deformation rate allows us to consider a thixotropicfluid as a Bingham plastic with coefficients that are dependent on time. The...
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Positron Scattering and Annihilation in Organic Molecules
PublicationIn this paper, we address the problem of connecting positron lifetimes in liquids with collision cross sections in gases. We present the analyses of annihilation lifetime spectra of positrons in the liquid benzene, c-hexane, n-hexane, methanol and ethanol and calculations of scattering cross sections of positrons with benzene and c-hexane in the gas phase.
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Excitation of Non-Wave Modes by Sound of Arbitrary Frequency in a Chemically Reacting Gas
PublicationThe nonlinear phenomena in the field of high intensity sound propagating in a gas with a chemical reaction, are considered. A chemical reaction of A → B type is followed by dispersion and attenuation of sound which may be atypical during irreversible thermodynamic processes under some conditions. The first and second order derivatives of heat produced in the chemical reaction evaluated at the equilibrium temperature, density and...
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The symmetric extendibility of quantum states
PublicationStudies on the symmetric extendibility of quantum states have become particularly important in the context of the analysis of one-way quantum measures of entanglement, and the distillability and security of quantum protocols. In this paper we analyze composite systems containing a symmetric extendible part, with particular attention devoted to the one-way security of such systems. Further, we introduce a new one-way entanglement...
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Thermal Self-Action Effects of Acoustic Beam in a Gas with Reversible or Irreversible Chemical Reaction
PublicationThermal self-action of acoustic beam in a gas where an exothermic chemical reaction takes place, is studied. This kind of thermal self-action differs from that in a newtonian fluid. In dependence on the type of a chemical reaction, reversible or not, heating or cooling of a medium occurs. A beam in the case of the irreversible reaction may be unusually self-focusing. The self-action effects relating to wave beams containing shock...
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Excitation energy migration in uniaxially oriented polymer films: a comparison between strongly and weakly organized systems
PublicationMechanizm wieloetapowej migracji energii w osiowo rozciąganych foliach polimerowych jest analizowany w układach o silnej i słabej orientacji molekuł barwników umieszczonych w matrycach poliwinylowych. Porównanie tych różnie orientujących się układów bazuje na zjawisku depolaryzacji stężeniowej anizotropii emisji, symulacjach Monte Carlo i wartościach liniowego dichroizmu. Pokazano, że uporządkowanie momentów przejścia fluoroforów...
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Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations
PublicationThe high-resolution vacuum ultraviolet photoabsorption spectrum of isobutyl acetate, C6H12O2, is presented here and was measured over the energy range 4.3–10.8 eV (290–115 nm). Valence and Rydberg transitions with their associated vibronic series have been observed in the photoabsorption spectrum and are assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. The measured...
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Analytical Expression for the Time-Domain Green's Function of a Discrete Plane Wave Propagating in the 3-D FDTD Grid
PublicationIn this paper, a closed-form expression for the time-domain dyadic Green’s function of a discrete plane wave (DPW) propagating in a 3-D finite-difference time-domain (FDTD) grid is derived. In order to verify our findings, the time-domain implementation of the DPW-injection technique is developed with the use of the derived expression for 3-D total-field/scattered-field (TFSF) FDTD simulations. This implementation requires computations...
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Possible schemes of photoassociation processes in the KLi molecule with newly calculated potential energy curves
PublicationWe present four promising schemes for photoassociative formation of KLi molecule in its ground electronic state. Analysis is based on newly calculated adiabatic potentials supported by transition dipole moments and Franck-Condon factors.
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Generation of vorticity motion by sound in a chemically reacting gas and inversion of acoustic streaming in the non-equilibrium regime
PublicationBadanie dotyczy nieliniowych pobudzeń modu wirowego wywoływanych przez straty momentu pędu w gazie, w którym zachodzą reakcje chemiczne. Zostało wyprowadzone chwilowe dynamiczne równanie dla modu wirowego. Zawiera ono nieliniową siłę akustyczną co pokazuje, że powodem interakcji między modami akustycznym i wirowym jest nieliniowość. Równanie pozwala jako przyczynę ruchu wirowego rozważać zarówno dźwięk okresowy, jak i aperiodyczny....
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Hysteresis curves for some periodic and aperiodic perturbations in magnetosonic flow
PublicationA 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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Cavity-QED tests of representations of canonical commutation relations employed in field quantization
PublicationDane eksperymentalne dotyczące oscylacji Rabiego porównano z opisem teoretycznym w ramach alternatywnych sformułowań elektrodynamiki kwantowej. Okazało się, iż eksperyment nie jest w stanie rozróżnić opisu standardowego od nowego sformułowania opartego o redukowalne reprezentacje CCR. Zaproponowano nowy eksperyment, którego wynik mógłby być rozstrzygający.
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Time travel without paradoxes: Ring resonator as a universal paradigm for looped quantum evolutions
PublicationA 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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Teleportation of geometric structures in 3D
PublicationThe simplest quantum teleportation algorithms can be represented in geometric terms in spaces of dimensions 3 (for real state vectors) and 4 (for complex state vectors). The geometric representation is based on geometric-algebra coding, a geometric alternative to the tensor-product coding typical of quantum mechanics. We discuss all the elementary ingredients of the geometric version of the algorithm: geometric analogs of states...
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An ab initio study of the excited states of the vinoxy radical
PublicationMetodą ab initio obliczone zostały powierzchnie energii potencjalnej oraz radialne sprzężenia nieadiabatyczne. Rozpatrzono podprzestrzeń dwóch aktywnych kątów zaangażowanych w proces fotodysocjacji. Opracowany został schemat kwaziadiabatyczny w sąsiedztwie przecięcia stożkowego. Przedyskutowano niektóre konsekwencje możliwego mechanizmu fotodysocjacji winoksylu z różnych ścieżek formacji.
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Electronic excitation energy migration in partly ordered polymeric films
PublicationWieloetapowa migracja energii pomiędzy podłużnymi fluoroforami (karbocyjaniny) w osiowo rozciąganych foliach polimerowych była studiowana na podstawie pomiarów anizotropii emisji i symulacji Monte Carlo. W przeciwieństwie do układów nieuporządkowanych pokazano eksperymentalnie, że stężeniowa depolaryzacja fluorescencji w osiowo orientowanych foliach jest ekstremalnie słaba, mimo tego, że zachodzi zjawisko migracji energii. Opierając...
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Abstract DNA-type systems
PublicationAbstrakcyjny system typu DNA jest definiowany przez zestaw nieliniowych kinetycznych równań z wielomianowymi nieliniowościami, które przyjmują rozwiązania solitonowe związane z geometrią helis. Zestaw równań pozwala na dwie różne reprezentacje Laxa: forma von Neumanna i Darboux-kowariantna para Laxa. Wyjaśniamy dlaczego nie-Kolmogorowskie modele prawdopodobieństwa pojawiające się w kinetyce solitonowej są naturalnie związane z...
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Magnetoacoustic Heating in Nonisentropic Plasma Caused by Different Kinds of Heating-Cooling Function
PublicationThe nonlinear phenomena which associate with magnetoacoustic waves in a plasma are analytically studied. A plasma is an open system with external inflow of energy and radiation losses. A plasma’s flow may be isentropically stable or unstable. The nonlinear phenomena occur differently in dependence on stability or instability of a plasma’s flow. The nonlinear instantaneous equation which describes dynamics of nonwave entropy mode...
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Systems, environments, and soliton rate equations: A non-Kolmogorovian framework for population dynamics
PublicationSoliton rate equations are based on non-Kolmogorovian models of probability and naturally include autocatalytic processes. The formalism is not widely known but has great unexplored potential for applications to systems interacting with environments. Beginning with links of contextuality to non- Kolmogorovity we introduce the general formalism of soliton rate equations and work out explicit examples of subsystems interacting with...
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Low-energy positron scattering from gas-phase benzene
PublicationIn this paper we are presenting calculations of the elastic cross section of positrons with gas-phase benzene for the energy range from 0.25 eV to 9.0 eV. The calculations are done with the molecular R-matrix method for positron-scattering from poly-atomic molecules using a scaling factor to scale the electron-positron interaction. The scaling factor influences the position of the poles of the R-matrix. We adjust the scaling factor...
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Two-state dynamics for replicating two-strand systems
PublicationDynamika dwustanowa została zastosowana do opisów układów dwuniciowych, analogicznych do DNA.
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Reversible energy transfer between monomers and fluorescent dimers of rhodamine S in polyvinyl alcohol films
PublicationBezpromienisty transfer energii i jej pułapkowanie jest analizowane dla rodaminy S domieszkowanej w foliach PVA. Z analizy wynika że fluoryzujące dimery rodaminy S grają rolę niedoskonałych pułapek energii wzbudzenia. Dla najwyższych koncentracji barwnika wyniki doświadczalne wydajności kwantowej i anizotropii emisji nie mogą być wyjaśnione przy pomocy modelu pomijającego transfer powrotny energii do monomerów. Uwzględnienie transferu...
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Electronic structure and rovibrational predissociation of the 2^1Π state in KLi
PublicationAdiabatic potential energy curves of the 3^1Σ^+, 3^3Σ^+, 2^1Π and 2^3Π states correlating for large internuclear distance with the K(4s) + Li(2p) atomic asymptote were calculated. Very good agreement between the calculated and the experimental curve of the 2^1Π state allowed for a reliable description of the dissociation process through a small (∼20 cm−1 for J = 0) potential energy barrier. The barrier supports several rovibrational...
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Electronic structure and time-dependent description of rotational predissociation of LiH
PublicationThe adiabatic potential energy curves of the ^1Sigma+ and ^1Pi states of the LiH molecule were calculated. They correlate asymptotically to atomic states, such as 2s + 1s, 2p + 1s, 3s + 1s, 3p + 1s, 3d + 1s, 4s + 1s, 4p + 1s and 4d + 1s. A very good agreement was found between our calculated spectroscopic parameters and the experimental ones. The dynamics of the rotational predissociation process of the 1^1Pi state were studied...
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AMCA to TAMRA long range resonance energy transfer on a flexible peptide
PublicationFörster resonance energy transfer between 7-amino-4-methyl-3-coumarinylacetic acid, (AMCA, donor) and 5- carboxytetramethylrhodamine, (TAMRA, acceptor) bound to Lys(AMCA)-Gly-Pro-Arg-Ser-Leu-Ser-Gly-Lys (TAMRA)-NH2 peptide is demonstrated by various spectroscopic techniques in glycerol at room temperature. In particular, nonexponential character of fluorescence intensity decay evidences the distance distribution between the donor...
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Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations
PublicationThe highest resolution vacuum ultraviolet photoabsorption spectrum of isobutyl formate, C5H10O2, yet reported is presented over the energy range 4.5−10.7 eV (275.5−118.0 nm) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator...
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Quasirelativistic potential energy curves and transition dipole moments of NaRb
PublicationWe 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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Non-Wave Variations in Temperature Caused by Sound in a Chemically Reacting Gas
PublicationA weakly nonlinear generation of non-acoustic modes in the field of sound in a gas is considered. An exotericchemical reaction of A->B type, which takes place in a gas, may be reversible or not. Two types of sound areconsidered, low-frequency and high-frequency as compared with the characteristic time of a chemical reaction.For both these cases, the governing equations of non-acoustic modes are derived and conclusions of the efficiencyof...
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W-like bound entangled states and secure key distillation
PublicationWe construct multipartite entangled states with underlying W-type structuresatisfying positive partial transpose (PPT) condition under any (N −1)|1 partition. Then we showhow to distill a N-partite secure key from the states using two different methods: direct applicationof local filtering and novel random key distillation scheme in which we adopt the idea from recentresults on entanglement distillation. Open problems and possible...
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On the Nonlinear Effects of Magnetoacoustic Perturbations in a Perfectly Conducting Viscous and Thermoconducting Gas
PublicationNonlinear effects of planar and quasi-planar magnetosound perturbations are discussed. The plasma is as- sumed to be a Newtonian thermoconducting gas with infinite electrical conductivity permeated by a magnetic field orthogonal to the trajectories of gas particles. Generation of the non-wave modes (magnetoacoustic heating and streaming) in the field of periodic and aperiodic magnetoacoustic perturbations is discussed. The results...
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Linear game non-contextuality and Bell inequalities—a graph-theoretic approach
PublicationWe study the classical and quantum values of a class of one-and two-party unique games, that generalizes the well-known XOR games to the case of non-binary outcomes. In the bipartite case the generalized XOR(XOR-d) games we study are a subclass of the well-known linear games. We introduce a 'constraint graph' associated to such a game, with the constraints defining the game represented by an edge-coloring of the graph. We use the...
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Propagation of initially sawtooth periodic and impulsive signals in a quasi-isentropic magnetic gas
PublicationThe 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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Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate
PublicationThe high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate, C4H8O2, is presented over the energy range 4.5−10.7 eV (275.5−116.0 nm). Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Also, the photoabsorption cross sections...
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Redundant information encoding in QED during decoherence
PublicationBroadly understood decoherence processes in quantum electrodynamics, induced by neglecting either the radiation [L. Landau, Z. Phys. 45, 430 (1927)] or the charged matter [N. Bohr and L. Rosenfeld, K. Danske Vidensk. Selsk, Math.-Fys. Medd. XII, 8 (1933)], have been studied from the dawn of the theory. However, what happens in between, when a part of the radiation may be observed, as is the case in many real-life situations, has...
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Theoretical study of highly-excited states of KRb molecule
PublicationSemi-empirical adiabatic potential energy curves of highly excited states of the KRb molecule are calculated as a function of the internuclear distance R over a wide range from 3 to 150 a0. The diatomic molecule is treated as an effective two-electron system by using the large core pseudopotentials and core polarization potentials. All calculations are performed by using the nonrelativistic CASSCF/MRCI method with accurate basis...
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Superadditivity of two quantum information resources
PublicationEntanglement is one of the most puzzling features of quantum theory and a principal resource for quantum information processing. It is well known that in classical information theory, the addition of two classical information resources will not lead to any extra advantages. On the contrary, in quantum information, a spectacular phenomenon of the superadditivity of two quantum information resources emerges. It shows that quantum...
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The Role of Electron Transfer in the Fragmentation of Phenyl and Cyclohexyl Boronic Acids
PublicationIn this study, novel measurements of negative ion formation in neutral potassium-neutral boronic acid collisions are reported in electron transfer experiments. The fragmentation pattern of phenylboronic acid is comprehensively investigated for a wide range of collision energies, i.e., from 10 to 1000 eV in the laboratory frame, allowing some of the most relevant dissociation channels to be probed. These studies were performed in...
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Non-Newtonian Mathematics Instead of Non-Newtonian Physics: Dark Matter and Dark Energy from a Mismatch of Arithmetics
PublicationNewtonian physics is based on Newtonian calculus applied to Newtonian dynamics. New paradigms such as ‘modified Newtonian dynamics’ (MOND) change the dynamics, but do not alter the calculus. However, calculus is dependent on arithmetic, that is the ways we add and multiply numbers. For example, in special relativity we add and subtract velocities by means of addition β1⊕β2=tanh(tanh−1(β1)+tanh−1(β2)), although multiplication β1⊙β2=tanh(tanh−1(β1)⋅tanh−1(β2)),...
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Rotationally invariant bipartite states and bound entanglement
PublicationW pracy rozważano stany kwantowe niezmiennicze na działanie grupy SO(3). Pokazano, że w przypadku, gdy pierwszy podukład ma parzysty wymiar większy lub równy cztery oraz drugi podukład ma wymiar dowolny, większy niż pierwszy to pośród takich stanów zawsze istnieje splątanie związane.
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π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex
PublicationThe synthesis and characterization of a mixed metal ruthenium(II)/gold(III) complex bridged by tetrapyridophenazine (tpphz) are described. It is isostructural and isoelectronic to the well-known photocatalysts with palladium(II) or platinum(II). Concentration dependent 1H-NMR spectroscopy and XRD studies show that the electrostatic repulsion between the gold(III) moieties exceeds the attractive π-stacking interaction. Theoretical...
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Interaction of Acoustic and Thermal Modes in the Vibrationally Relaxing Gases. Acoustic Cooling
PublicationThe dynamic equation which governs an excess temperature associated with the thermal mode in vibrationally relaxing gas is derived. The nonlinear transfer of acoustic energy to the energy of the thermal mode in a relaxing gas causes slow variation of temperature with time. The nal dynamic equation is instantaneous. All types of sound, including aperiodic, may be considered as an acoustic source of corresponding heating or cooling....
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Excitation energy migration between elongated fluorophores in uniaxially oriented polyvinyl alcohol films
PublicationBezpromienisty wieloetapowy transfer energii jest studiowany dla molekuł DTCI w osiowo rozciąganych i nierozciąganych foliach poliwinylowych. Wyniki pomiarów zaników anizotropii znacznie różnią się dla rozciąganych i nierozciąganych folii. Dla układów nieuporządkowanych zaobserwowano szybką depolaryzację fluorescencji wynikającą z efektywnej migracji energii. Dla częściowo uporządkowanych układów, depolaryzacja była znacznie wolniejsza...
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Simple Fractal Calculus from Fractal Arithmetic
PublicationNon-Newtonian calculus that starts with elementary non-Diophantine arithmetic operations of a Burgin type is applicable to all fractals whose cardinality is continuum. The resulting definitions of derivatives and integrals are simpler from what one finds in the more traditional literature of the subject, and they often work in the cases where the standard methods fail. As an illustration, we perform a Fourier transform of a real-valued...
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A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
PublicationIn this theoretical work, we present a spectroscopic analysis of the cis/trans-isomers of a molecular switch, penta-2,4-dienoic acid, attached to gold clusters of different size (1, 2 and 20 gold atoms). We have simulated 4 different spectroscopic techniques: Infrared spectroscopy, normal Raman scattering, absorption spectra and resonance Raman scattering. We discuss how the position and the conformation of the molecule determine...
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Teleportation seen from spacetime: on 2-spinor aspects of quantum information processing
PublicationZastosowanie formalizmu 2-spinowego do kwantowego przetwarzania informacji zilustrowane przykładem teleportacji i relatywistycznej korelacji błędu.
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Transition dipole moments of the lithium dimer
PublicationIn addition to knowledge of interatomic adiabatic potential energy curves of diatomic systems, it is essential to know electronic transition dipole moments. They are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping. Here, we present electronic transition dipole moments calculated for 74 allowed transitions between 26 states of Li2 [P. Jasik, J.E. Sienkiewicz, Chem. Phys. 323 (2006)...
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On description of periodic magnetosonic perturbations in a quasi-isentropic plasma with mechanical and thermal losses and electrical resistivity
PublicationMagnetosonic 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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The role of Herzberg-Teller effects on the resonance Raman spectrum of trans-porphycene investigated by time dependent density functional theory.
PublicationThe S1 excited state properties as well as the associated absorption and resonance Raman (RR) spectra of trans-porphycene are investigated by means of time dependent density functional theory calculations. The relative magnitude of the Franck-Condon (FC) contribution and of the Herzberg-Teller (HT) effects is evaluated for both the absorption and RR intensities. The accuracy of the calculated spectra is assessed by employing different...
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Experimental generation of complex noisy photonic entanglement
PublicationWe 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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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublicationThe first ionization energy and associated photoelectron spectrum of ethyl formate are investigated with quantum chemistry calculations. The geometries, harmonic vibrational frequencies and first ionization energy are computed at the Hartree-Fock (HF) and at the second order Moller-Plesset perturbation theory (MP2). Moreover, accurate ionization energies are obtained with the Coupled-Cluster theory including singles and doubles...
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On the Nonlinea Distortions of Sound and its Coupling with Other Modes in a Gasesous Plasma with Finite Electric Conductivity in a Magnetic Field
PublicationNonlinear phenomena of the planar and quasi-planar magnetoacoustic waves are considered. We focus on deriving of equations which govern nonlinear excitation of the non-wave motions by the intense sound in initially static gaseous plasma. The plasma is treated as an ideal gas with finite electrical conductivity permeated by a magnetic field orthogonal to the trajectories of gas particles. This introduces dispersion of a flow. Magnetoacoustic...
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Amplifying the Randomness of Weak Sources Correlated With Devices
PublicationThe problem of device-independent randomness amplification against no-signaling adversaries has so far been studied under the assumption that the weak source of randomness is uncorrelated with the (quantum) devices used in the amplification procedure. In this paper, we relax this assumption, and reconsider the original protocol of Colbeck and Renner using a Santha-Vazirani (SV) source. To do so, we introduce an SV-like condition...
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Automatic Regularization by Quantization in Reducible Representations of CCR: Point-Form Quantum Optics with Classical Sources
PublicationElectromagnetic fields are quantized in a manifestly covariant way by means ofa class of reducible "center-of-mass N-representations" of the algebra of canonical commutationrelations (CCR). The four-potential Aa(x) transforms in these representations as aHermitian four-vector field in Minkowski four-position space (without change of gauge), butin momentum space it splits into spin-1 massless photons and two massless scalars. Whatwe...
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CLICK 'n' Sleep: Light-Switch Behavior of Triazole-Containing Tris(bipyridyl)ruthenium Complexes
PublicationA set of RuII complexes incorporating triazole subunits are presented. They show a solvent-dependent light-switch effect. Theoretical calculations revealed the excited states involved in the emission process. The findings are highly important for future design of light-switch sensors and suggest a severe restriction for functional photomolecular devices synthesized by CLICK chemistry.
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The decay of quantum correlations between quantum dot spin qubits and the characteristics of its magnetic-field dependence
PublicationWe address the question of the role of quantum correlations beyond entanglement in the context of quantum magnetometry. We study the evolution of the rescaled variant of the geometric quantum discord of two electron-spin qubits interacting with an environment of nuclear spins via the hyperfine interaction. We have found that quantum correlations display a strong magnetic-field sensitivity which can be utilized for decoherence-driven...
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Regularization as quantization in reducible representations of CCR
PublicationOpis kwantowego pola elektromagnetycznego przy pomocy redukowalnych reprezentacji CCR prowadzi do automatycznej regularyzacji teorii. Sformułowanie jest jawnie relatywistycznie współzmiennicze. Przeanalizowano - jako przykład - pola kwantowe wytwarzane przez klasyczne źródła.
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If Gravity is Geometry, is Dark Energy just Arithmetic?
PublicationArithmetic operations (addition, subtraction, multiplication, division), as well as the calculus they imply, are non-unique. The examples of four-dimensional spaces, R^4 and (−L/2,L/2)^4, are considered where different types of arithmetic and calculus coexist simultaneously. In all the examples there exists a non-Diophantine arithmetic that makes the space globally Minkowskian, and thus the laws of physics are formulated in terms...
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Comment on "Measurements without probabilities in the final state proposal"
PublicationThe final state proposal [G.T. Horowitz and J.M. Maldacena, J. High Energy Phys.2004(2),8 (2004)] is an attempt to relax the apparent tension betweenstring theory and semiclassicalarguments regarding the unitarity of black hole evaporation. The authors of [R. Bousso and D.Stanford, Phys. Rev. D89, 044038 (2014)] analyze thought experiments where an infalling observerfirst verifies the entanglement between early and late Hawking...
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Constructive entanglement test from triangle inequality
PublicationWe derive a simple lower bound on the geometric measure of entanglement for mixed quantum states in the case of a general multipartite system. The main ingredient of the presented derivation is the triangle inequality applied to the root infidelity distance in the space of density matrices. The obtained bound leads to entanglement criteria with a straightforward interpretation. The proposed criteria provide an experimentally accessible,...
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Elementary gates for cartoon computation
PublicationSformułowano elementarne bramki kwantowe, pozwalające tłumaczyć algorytmy kwantowe na język geometryczny.
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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublicationThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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Piecewise continuous distribution function method in the theory of wave disturbances of inhomogeneous gas
PublicationUkład 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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Modelling charge transfer processes in C2+ -tetrahydrofuran collision for ion-induced radiation damage in DNA building blocks
PublicationInvestigations of collision-induced processes involving carbon ions and molecules of biological interest in particular DNA building blocks, are crucial to model the effect of radiation on cells in order to improve medical treatments for cancer therapy. Using carbon ions appears to be one of the most efficient ways to increase biological effectiveness to damage cancerous cells by irradiating deep-seated tumors. Therefore, interest...
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Rotational state-changing collisions of C2H− and C2N− anions with He under interstellar and cold ion trap conditions: A computational comparison
PublicationWe present an extensive range of quantum calculations for the state-changing rotational dynamics involving two simple molecular anions that are expected to play some role in the evolutionary analysis of chemical networks in the interstellar environments, C2H− (X1Σ+) and C2N− (X3Σ−), but for which inelastic rates are only known for C2H−. The same systems are also of direct interest in modeling selective photo-detachment experiments...
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Characterizing the Performance of <span class="sc">xor</span> Games and the Shannon Capacity of Graphs
PublicationIn this Letter we give a set of necessary and sufficient conditions such that quantum players of a two-party xor game cannot perform any better than classical players. With any such game, we associate a graph and examine its zero-error communication capacity. This allows us to specify a broad new class of graphs for which the Shannon capacity can be calculated. The conditions also enable the parametrization of new families of games...
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A dipole-driven path for electron and positron attachments to gas-phase uracil and pyrimidine molecules: a quantum scattering analysis
PublicationElectron and positron scattering processes in the gas-phase are analysed for uracil and pyrimidine molecules using a multichannel quantum approach at energies close to threshold. The special effects on the scattering dynamics induced by the large dipole moments in both molecules on the spatial features of the continuum leptonic wavefunctions are here linked to the possible bound states of the Rydberg-like molecular anions or ‘positroned’...
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A Loophole of All ‘Loophole-Free’ Bell-Type Theorems
PublicationBell’s theorem cannot be proved if complementary measurements have to be represented by random variables which cannot be added or multiplied. One such case occurs if their domains are not identical. The case more directly related to the Einstein–Rosen–Podolsky argument occurs if there exists an ‘element of reality’ but nevertheless addition of complementary results is impossible because they are represented by elements from different...
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Synthesis and hydrogen evolving catalysis of a panchromatic photochemical molecular device
PublicationA dinuclear hydrogen evolution photocatalyst [(tbbpy)2Os(tpphz)PtI2](PF6)2 (tbbpy = 4,4′-tert-butyl-2,2′-bipyridine; tpphz = tetrapyrido[3,2-a:2′,3′-c:2′′,3′′-h:2′′′,3′′′-j]phenazine) is synthesized in order to make use of the broader range of visible light absorption mitigated by the osmium center. In a first step, the activity of the complex for hydrogen evolution is investigated by evaluating the role of different electron donors...
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The adiabatic potentials of low-lying electronic states of the NaRb molecule
PublicationAdiabatic potential energy curves and spectroscopic constants have been calculated for the NaRb molecule. The results of ten states of the symmetry Σ+, six states of the symmetry Π, and two states of the symmetry Δ are obtained by the nonrelativistic quantum chemical method used with pseudopotentials describing the interaction of valence electrons with atomic cores. Analysis is based on a comparison with the results of other theoretical...
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Information content of systems as a physical principle
PublicationTo explain the conceptual gap between classical and quantum and other, hypothetical descriptions of the world, several principles have been proposed. So far, all these principles have not explicitly included the uncertainty relation. Here we introduce an information content principle ( ICP ) which represents a constrained uncertainty principle. The principle, by taking into account the encoding and decoding properties of a single physical...