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Catalog Publications
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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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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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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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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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An approach to constructing genuinely entangled subspaces of maximal dimension
PublicationGenuinely entangled subspaces (GESs) are the class of completely entangled subspaces that contain only genuinely multiparty entangled states. They constitute a particularly useful notion in the theory of entanglement but also have found an application, for instance, in quantum error correction and cryptography. In a recent study (Demianowicz and Augusiak in Phys Rev A 98:012313, 2018), we have shown how GESs can be efficiently...
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Low to intermediate energy elastic electron scattering from dichloromethane (CH2Cl2)
PublicationWe report a theoretical-experimental investigation of electron scattering by dichloromethane (CH2Cl2) in the low- and intermediate energy ranges. Experimental elastic differential cross sections (DCS), in the incident electron energy range of 0.5-800 eV and scattering angle range of 10°–130°, were measured using a crossed beam relative flow technique. Integral and momentum- transfer cross sections were determined from the experimental...
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Elementary gates for cartoon computation
PublicationSformułowano elementarne bramki kwantowe, pozwalające tłumaczyć algorytmy kwantowe na język geometryczny.
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Large electric field effects on photoluminescence of organic Eu3+ complex-based electroluminescent emitters
PublicationW pracy zaobserwowano silne wygaszenie fotoluminescencji pod wpływem zewnętrznego pola elektrycznego w organicznym kompleksie europu Eu(III). Wygaszenie fotoluminescencji przypisano elektrycznopolowej dysocjacji ekscytonów oraz anihilacji ekscytonów na wstrzykniętym do próbki ładunku elektrycznym.
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Daytime Acute Non-Visual Alerting Response in Brain Activity Occurs as a Result of Short- and Long-Wavelengths of Light
PublicationVery recent preliminary findings concerning the alerting capacities of light stimulus with long-wavelengths suggest the existence of neural pathways other than melatonin suppression that trigger the nonvisual response. Though the nonvisual effects of light during the daytime have not been investigated thoroughly, they are definitely worth investigating. The purpose of the present study is to enrich existing evidence by describing...
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Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublicationThis work presents multi‐state multi‐reference Møller–Plesset second‐order perturbation theory as a variant of multi‐reference perturbation theory to treat electron correlation in molecules. An effective Hamiltonian is constructed from the first‐order wave operator to treat several strongly interacting electronic states simultaneously. The wave operator is obtained by solving the generalized Bloch equation within the first‐order...
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Computed vibrational excitation ofCF4by low-energy electrons and positrons: Comparing calculations and experiments
PublicationQuantum calculations for the excitation of the asymmetric modes of the CF4 target gas, ν3 and ν4, by impact of low-energy electrons and positrons are carried out in the energy range around 1 eV and are compared with recent experimental findings. The similarities and differences between the two types of projectiles, and the two different modes, are analyzed and discussed vis à vis the present accord with the experimental results.
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Two-dimensional hydrogen-like atom in a weak magnetic field
PublicationWe consider a non-relativistic two-dimensional (2D) hydrogen-like atom in a weak, static, uniform magnetic field perpendicular to the atomic plane. Within the framework of the Rayleigh-Schr¨odinger perturbation theory, using the Sturmian expansion of the generalized radial Coulomb Green function, we derive explicit analytical expressions for corrections to an arbitrary planar hydrogenic bound-state energy level, up to the fourth...
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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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Static electric and magnetic multipole susceptibilities for Dirac one-electron atoms in the ground state
PublicationWe present tabulated data for several families of static electric and magnetic multipole susceptibilities for hydrogenic atoms with nuclear charge numbers from the range $1\leq Z\leq137$. Atomic nuclei are assumed to be point-like and spinless. The susceptibilities considered include the multipole electric polarizabilities $\alpha_{\mathrm{E}L\to\mathrm{E}L}$ and magnetizabilities (magnetic susceptibilities) $\chi_{\mathrm{M}L\to\mathrm{M}L}$...
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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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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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Magnetic-field-induced electric quadrupole moments for relativistic hydrogenlike atoms: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublicationWe consider a Dirac one-electron atom placed in a weak, static, uniform magnetic field. We show that, to the first order in the strength of the external field, the only electric multipole moments, which are induced by the perturbation in the atom, are those of an even order. Using the Sturmian expansion of the generalized Dirac-Coulomb Green function we derive a closed-form expression for the electric quadrupole moment induced...
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Vacuum ultraviolet photoionization and ionic fragmentation of the isoxazole molecules
PublicationThe photofragmentation of the isoxazole molecules producing ionized atomic and molecular fragments was investigated in the photon energy range of 9e32 eV, using synchrotron radiation excitation combined with ion time-of-flight spectrometry. Twenty-one well resolved cations were identified in the mass spectra of the isoxazole, and their appearance energies were determined. The yield curves of these cations were obtained in the photon...
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Low energy inelastic electron scattering from carbon monoxide: I. excitation of the a3Π, a’3Σ+ and AΠ1 electronic states.
PublicationDifferential 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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Effect of Different Bromine Sources on the Dual Cation Mixed Halide Perovskite Solar Cells
PublicationRecent research has shown that perovskite solar cells with a mixed dual A-cation have much better structural stability without loss of efficiency than single cation devices. Mixed cation perovskites create a lot of questions about the salts being used for the formation of the best-quality layer. Here, we have investigated three sources of bromide in the perovskite absorption layer, using lead bromide (PbBr2), formamidinium bromide...
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Investigations of quasi-static vortex structures in 2D sand specimen under passive earth pressure conditions based on DEM and Helmholtz-Hodge vector field decomposition.
PublicationArtykuł przedstawia wyniki obliczeń quasi-statycznych struktur wirowych w 2-wymiarowej próbce piasku w warunkach pasywnego parcia gruntu. Zastosowano metodę elementów dyskretnych i dekompozycję Helmholtza-Hodge’a pola wektorowego. Stwierdzono bliską zależność między wirami a miejscem powstania strefy lokalizacji odkształceń stycznych.
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Electron impact fragmentation of pyrrole molecules studied by fluorescence emission spectroscopy
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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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Annihilation rates of low-energy positron scattering from simple diatomic molecules
PublicationWe discuss the calculations of Zeff coefficients for a series of diatomic molecules over the range of energies below the positronium formation. During the development of a general code for polyatomic, nonlinear molecules colliding with positrons, it was discovered that the earlier one, employed only for diatomic molecules, had an error. The error is corrected and the corrected results are presented here. We also discuss a way of...
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Entropy Production Associated with Aggregation into Granules in a Subdiffusive Environment
PublicationWe study the entropy production that is associated with the growing or shrinking of a small granule in, for instance, a colloidal suspension or in an aggregating polymer chain. A granule will fluctuate in size when the energy of binding is comparable to k_{B}T, which is the “quantum” of Brownian energy. Especially for polymers, the conformational energy landscape is often rough and has been commonly modeled as being self-similar...
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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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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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Electron collisions with methyl-substituted ethylenes: Cross section measurements and calculations for 2-methyl–2-butene and 2,3-dimethyl–2-butene
PublicationWe report electron-scattering cross sections determined for 2-methyl–2-butene [(H3C)HC==C(CH3)2] and 2,3-dimethyl–2-butene [(H3C)2C=C(CH3)2] molecules. Absolute grand-total cross sections (TCSs) were measured for incident electron energies in the 0.5–300 eV range, using a linear electron-transmission technique. The experimental TCS energy dependences for the both targets appear to be very similar with respect to the shape. In each...
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Magnetizabilities of relativistic hydrogenlike atoms in some arbitrary discrete energy eigenstates
PublicationWe present the results of numerical calculations of magnetizability of the relativistic hydrogenlike atoms. Exploiting the analytical formula for $\chi$ we have found the values of the magnetizability for the ground state and for the first and the second set of excited states of the atom. The results for ions with the atomic number $0
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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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Magnetizability of the relativistic hydrogenlike atom in an arbitrary discrete energy eigenstate: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublicationThe Sturmian expansion of the generalized Dirac--Coulomb Green function [R.\/~Szmytkowski, J.\ Phys.\ B 30 (1997) 825; erratum 30 (1997) 2747] is exploited to derive a closed-form expression for the magnetizability of an arbitrary discrete state of the relativistic one-electron atom with a point-like, spinless and motionless nucleus of charge $Ze$. The result has the form of a double finite sum involving the generalized hypergeometric...
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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...
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Entanglement of genuinely entangled subspaces and states: Exact, approximate, and numerical results
PublicationGenuinely entangled subspaces (GESs) are those subspaces of multipartite Hilbert spaces that consist only of genuinely multiparty entangled pure states. They are natural generalizations of the well-known notion of completely entangled subspaces, which by definition are void of fully product vectors. Entangled subspaces are an important tool of quantum information theory as they directly lead to constructions of entangled states,...
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Dissociative electron attachment to benzoic acid (C7H6O2)
PublicationThe dissociative electron attachment (DEA) to benzoic acid (C6H5COOH) has been studied using an experimental crossed beam setup of a quadrupole mass spectrometer and a trochoidal electron monochromator. Relative partial cross sections for the DEA to produce negative ion fragments show the main channels for dissociation. The comparison of the present results with the ultraviolet photoelectron spectrum of benzoic acid [J. Meeks,...
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Electron scattering from 2-methyl–1,3-butadiene,C5H8, molecules: Role of methylation
PublicationWe report cross-section results from experimental and theoretical investigations into electron collisions with the 2-methyl–1,3-butadiene [C5H8] molecule. The current results are compared with our previous results for the 1,3-butadiene [C4H6] molecule, a structural homologue of 2-methyl–1,3-butadiene, to investigate how the methylation (the substitution of hydrogen atom by a methyl group) affects the shape and/or magnitude of the...
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Electron collisions with X(CH3)4 molecules (X = C, Si, Ge)
PublicationAbsolute grand-total cross sections (TCSs) for electron scattering from tetramethylmethane [C(CH3)4], tetramethylsilane [Si(CH3)4], and tetramethylgermane [Ge(CH3)4] molecules have been measured at electron-impact energies extending from around 0.5 to 300 eV in the linear electron-transmission experiment. The measured TCS energy dependences show very pronounced broad enhancement, peaking near 5.5 eV for Si(CH3)4 and Ge(CH3)4 molecules...
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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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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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Isotope shifts in the spectrum of Pb I
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Electron collisions with ethylene oxide molecules
PublicationZmierzono 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...
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Evolution of magnetic and transport properties in (Cr1−xMnx)2AlC MAX-phase synthesized by arc melting technique
PublicationHerein we initiate a comeback to the arc melting technique to produce MAX-phase solid solutions. Bulk samples of (Cr1−xMnx)2AlC MAX-phase with X = 0, 0.025, 0.05 and 0.1 were synthesized and studied by means of X-ray diffractometry, scanning electron microscopy in combination with energy-dispersive X-ray spectroscopy. Samples were established to be homogeneous with an incorporation of Cr7C3, AlCr2 and Al2O3 secondary phases which...
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DEM investigations of two-dimensional granular vortex- and anti-vortex- structures during plane strain compression.
PublicationDEM investigations of two-dimensional granular vortex- and anti-vortex- structures during plane strain compression.
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Electron scattering by trimethylene oxide, c-(CH2)3O, molecules
PublicationZmierzono całkowity przekrój czynny na rozproszenie elektronów na drobinach c-(CH2)3O w zakresie energii 1 - 400 eV. Wyniki porównano z elastycznymi i jonizacyjnymi przekrojami czynnymi obliczonymi dla tej drobiny. Przedyskutowano energetyczną zależność całkowitego przekroju czynnego na rozproszenie dla rodziny eterów cyklicznych (CH2)nO, n=2-4.
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Electron collision with sulfuryl chloride (SO2Cl2) molecule
PublicationStosując liniową metodę transmisyjną zmierzono całkowite przekroje czynne (TCS) na zderzenie elektronów z drobinami SO2Cl2 w zakresie energii 0.5-150 eV. Stwierdzono obecność głębokiego minimum przy ok. 1.8 eV i szerokiego maksimum w pobliżu 9.5 eV. Przeprowadzono porównanie z dostępnymi wynikami dla innych związków zawierających grupę sulfonową.
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A study of the electronic states of pyrimidine by electron energy loss spectroscopy
PublicationThe electron energy loss spectra were measured in pyrimidine at the constant electron residual energy varied from 15 meV to 10 eV and in the scattering angle range 0–180°. The spectra were analysed applying an iteration fitting procedure to resolve the energy loss bands corresponding to excitation of the electronic states of pyrimidine. The vertical excitation energies of the singlet states of pyrimidine and of a number of the...
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Electromodulation and magnetomodulation of exciton dissociation in electron donor (starburst amine) : electron acceptor (bathocuproine) system
PublicationElectric field dependencies of electromodulated photoluminescence and photocurrents as well as the magnetic field effects on photocurrents, photovoltaic characteristics, electromodulated photoluminescence and photoluminescence have been investigated in vacuum evaporated films of m-MTDATA:BCP (4,4',4''-tris(N-(3-methylphenyl)-N-phenylamino)triphenylamine and bathocuproine) system. The electromodulation processes do remain in accordance...
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Quantum structure in competing lizard communities
PublicationAlmost two decades of research on applications of the mathematical formalism of quantum theory as a modeling tool in domains different from the micro-world has given rise to many successful applications in situations related to human behavior and thought, more specifically in cognitive processes of decision-making and the ways concepts are combined into sentences. In this article, we extend this approach to animal behavior, showing...
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Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations
PublicationThe highest resolution vacuum ultraviolet photoabsorption spectrum of ethyl formate, C2H5OCHO, yet reported is presented over the wavelength range 115.0–275.5 nm (10.75–4.5 eV) 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...
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Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
PublicationThe understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...
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Numerical modeling of exciton impact in two crystalographic phases of the organo-lead halide perovskite (CH3NH3PbI3) solar cell
PublicationTo improve the power conversion efficiency of solar cells based on organo–lead halide perovskites, a detailed understanding of the device physics is fundamental. Here, a computational analysis of excitons impact is reported for these types of photocell. Numerical calculations based on the model, which take into account electronic charge carriers (electrons and holes), excitons and ions, have been carried out. The role of excitons...
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Interaction of 4-nitrothiophenol with low energy electrons: Implications for plasmon mediated reactions
PublicationThe reduction of 4-nitrothiophenol (NTP) to 4-4′-dimercaptoazobenzene (DMAB) on laser illuminated noble metal nanoparticles is one of the most widely studied plasmon mediated reactions. The reaction is most likely triggered by a transfer of low energy electrons from the nanoparticle to the adsorbed molecules. Besides the formation of DMAB, dissociative side reactions of NTP have also been observed. Here, we present a crossed electron-molecular...
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Influence of the Spectral Quality of Light on Daytime Alertness Levels in Humans
PublicationExposure to light is very important for human health. However, the characteristics of the light stimulus and the appropriate timing of such exposure are essential. Studies that have used monochromatic light exposure have shown no systematic patterns for the effects of blue light compared to longer wavelengths. Previous studies have shown that red light exposure increases objective and subjective measures of alertness at night without...
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On dielectric spectra of thin copper phthalocyanine films
PublicationPraca przedstawia niskosygnałowe widma dielektryczne, w zakresie częstotliwości 25 Hz-1 MHz, układów kanapkowych takich jak złoto/ftalocyjanina miedzi/magnez i złoto/ftalocyjanina miedzi/złoto.Przeprowadzona analiza umożliwiła odróżnienie w odpowiedzi dielektrycznej oporności elektrod i polaryzacji sieci od procesów związanych z transportem elektrycznych, takich jak relaksacja nośników ładunku w obszarze ładunku przestrzennego...
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Hyaluronan-Chondroitin Sulfate Anomalous Crosslinking Due to Temperature Changes
PublicationGlycosaminoglycans are a wide class of biopolymers showing great lubricating properties due to their structure and high affinity to water. Two of them, hyaluronic acid and chondroitin sulfate, play an important role in articular cartilage lubrication. In this work, we present results of the all-atom molecular dynamics simulations of both molecules placed in water-based solution. To mimic changes of the physiological conditions,...
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No Quantum Realization of Extremal No-Signaling Boxes
PublicationThe study of quantum correlations is important for fundamental reasons as well as for quantum communication and information processing tasks. On the one hand, it is of tremendous interest to derive the correlations produced by measurements on separated composite quantum systems from within the set of all correlations obeying the no-signaling principle of relativity, by means of information-theoretic principles. On the other hand,...
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Elimination and migration of hydrogen in the vacuum-ultraviolet photodissociation of pyridine molecules
PublicationElimination of the excited hydrogen atoms H(n), n = 4–7, and hydrogen migration in formation of the excited NH(A 3Π) free radicals in the photodissociation of pyridine, C5H5N, molecules have been studied over the 17.5–70 eV photon energy range. In the measurements the photon-induced fluorescence spectroscopy technique has been applied. Both fragments are produced through excitation of pyridine molecules into higher-lying superexcited...
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Electron-impact ionization cross section of formic acid
PublicationExperimental electron-impact ionization cross sections of one of the simplest carboxylic acids, formic acid, are presented. The molecular target was studied in two independent experimental setups applying different methods: the total ion collection and the electron–impact mass spectrometry methods. Experimental data were taken at incident electron energies ranging from ionization threshold [11.31 eV; J.C. Traeger, Int. J. Mass...
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Spectroscopic and photophysical properties of ZNTPP in a room temperature ionic liquid
PublicationThe steady-state absorption and emission spectra and the time-resolved Soret- and Q-band excited fluorescence profiles of the model metalloporphyrin, ZnTPP, have been measured in a highly purified sample of the common room temperature ionic liquid, [bmim][PF(6)]. S(2)-S(0) emission resulting from Soret-band excitation behaves in a manner completely consistent with that of molecular solvents of the same polarizability. The ionic...
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Fourier transforms on Cantor sets: A study in non-Diophantine arithmetic and calculus
PublicationFractals equipped with intrinsic arithmetic lead to a natural definition of differentiation, integration, and complex structure. Applying the formalism to the problem of a Fourier transform on fractals we show that the resulting transform has all the required basic properties. As an example we discuss a sawtooth signal on the ternary middle-third Cantor set. The formalism works also for fractals that are not self-similar.
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Optical activity and electro-optic effect of l-arginine doped KDP single crystals
PublicationWe have used the modified polarimetric methods to study optical activity (OA) in the potassium dihydrogenphosphate (KDP) crystals doped with 0.7, 1.4 and 3.8 wt% L-arginine (L-arg) amino acid. Crystals were grown by the temperature reduction method. Small changes of the absolute eigen waves ellipticity and OA values in doped crystals were noted. We have experimentally determined the signs of OA in the [1 00] and [01 0] directions...
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Carboxylation Enhances Fragmentation of Furan upon Resonant Electron Attachment
PublicationWe report a dissociative electron attachment study to 2-furoic acid (C5H4O3) isolated in a gas phase, which is a model molecule consisting of a carboxylic group and a furan ring. Dissociation of furan by low energy electrons is accessible only via electronic excited Feshbach resonances at energies of incident electrons above 5 eV. On the other hand, carboxylic acids are well- known to dissociate via attachment of electrons at subexcitation energies....
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On photovoltaic effect in hybrid heterojunction formed from palladium phthalocyanine and titanium dioxide layers
PublicationPraca omawia własności fotowoltaiczne hybrydowego heterozłączy utworzonego z ftalocyjaniny palladu i dwutlenku tytanu. Warstwy TiO2 otrzymano metodą zol-żel, a warstwę organiczną nanoszono metodą próżniowego naparowywania. W pracy przedstawione są charakterystyki prądowo-napięciowe, zależność prądu zwarcia i napięcia rozwarcia od natężenia oświetlenia oraz spektralna charakterystyka prądu zwarcia.
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Electromodulation of photoluminescence in vacuum-evaporated films of fac-tris(2-phenylpyridine)iridium(III)
PublicationZaobserwowano silne wygaszenie fosforescencji w komórkach sandwiczowych Al/Ir(ppy)3/Al/kwarc, które w polu elektrycznym o natężeniu 3 MV/cm dochodzi do 30%. Mechanizm wygaszania jest związany z dysocjacją ekscytonów trypletowych pod działaniem zewnętrznego pola elektrycznego w obszarach zdefektowanych sieci krystalicznej.
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Mode interaction in few-mode optical fibres with Kerr effect
PublicationUogólnioną metodę rzutowania do ortogonalnej bazy funkcji poprzecznej współrzędnej Bessela stosuje się do wyprowadzania układów równań nieliniowych Schrodingera. Teoria jest ważna dla paczek falowych w światłowodach i kilku modelach.
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Electric-field-induced quenching of photoluminescence in photoconductive organic thin film structures based on Eu3+ complexes
PublicationW pracy badano elektrycznopolowe wygaszenie fotoluminescencji w organicznych kompleksach europu Eu(III) rozdyspergowanych w matrycy poliwęglan: dwuamina TPD. W układzie z elektrodami Al/Al obserwowano wygaszenie fotoluminescencji wywołane dysocjacją ekscytonów. W układzie z elektrodami ITO(+)/Au(-) oprócz dysocjacji ekscytonów obserwowano również silne wygaszenie ekscytonów na ładunku elektrycznym wstrzykniętym do próbki. Analiza...
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Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublicationTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
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Cross sections for electron collision with pyridine [C5H5N] molecule
PublicationThe 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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Dual-wavelength polarimeter application in investigations of the optical activity of a langasite crystal
PublicationA method of high accuracy polarimetry, which includes optical activity measurements systematic errors, was realized with dual-wavelength polarimeter for two wavelengths of 635 and 650 nm. Simultaneous measurements with neighboring wavelengths significantly improved the data processing, by increasing the amount of data to eliminate the systematic errors. For langasite crystal La3Ga5SiO14 we measured temperature dependence of the...
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Interactions of protons with furan molecules studied by collision-induced emission spectroscopy at the incident energy range of 50–1000 eV
PublicationInvestigations of the ion-molecule reactions provide insight into many fields ranging from the stellar wind interaction with interstellar media, up to medicine and industrial applications. Besides the applications, the understanding of these processes is itself a problem of fundamental importance. Thus, interactions of protons with the gas-phase furan molecules have been investigated for the first time in the energy range of 50–1000...
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Do positrons measure atomic and molecular diameters?
PublicationWe report on density functional calculations (DFT) of elastic integral scattering cross-sections for positron collisions with argon, krypton, nitrogen and methane. The long-range asymptotic polarization potential is described using higher-order terms going much beyond an induced dipole potential (−α / r 4) while the short-range interaction is modeled by two different forms of electron – positron correlation potential (Boroński-Nieminen...
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Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory.
PublicationTime dependent density functional theory calculations are applied on a series of molecular photocatalysts of the type [(tbbpy)2M1(tpphz)M2X2]2+ (M1 = Ru, Os; M2 = Pd, Pt; X = Cl, I) in order to provide information concerning the photochemistry occurring upon excitation of the compounds in the visible region. To this aim, the energies, oscillator strengths and orbital characters of the singlet and triplet excited states are investigated....
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Crystallization of space: Space-time fractals from fractal arithmetic
PublicationFractals such as the Cantor set can be equipped with intrinsic arithmetic operations (addition, subtraction, multiplication, division) that map the fractal into itself. The arithmetics allows one to define calculus and algebra intrinsic to the fractal in question, and one can formulate classical and quantum physics within the fractal set. In particular, fractals in space-time can be generated by means of homogeneous spaces associated...
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The influence of anchoring group position in ruthenium dye molecule on performance of dye-sensitized solar cells
PublicationThe effect of anchoring group position and, in consequence, the orientation of the ruthenium dye molecule on titania surface on the performance of dye-sensitized solar cells has been studied intensively. Three model ruthenium sensitizing dyes bearing carboxylic anchoring group in ortho, meta or para position were synthesized and well characterized by spectroscopic, electrochemical, photophysical and photochemical measurements....
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Polarisation effects in low-energy positron–molecule scattering
PublicationThe UK molecular R-matrix method has been adapted to treat positron collisions from polyatomic targets. A simple empirical enhancement factor which corrects for the underestimation of electron–positron polarisation and correlation effects in the calculations performed with the static-plus-polarization model at low scattering energies is presented. Application of this model to positron scattering from carbon dioxide at energies...
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Constructing genuinely entangled multipartite states with applications to local hidden variables and local hidden states models
PublicationBuilding upon the results of R. Augusiak et al. [Phys. Rev. Lett. 115, 030404 (2015)] we develop a general approach to the generation of genuinely entangled multipartite states of any number of parties from genuinely entangled states of a fixed number of parties, in particular, the bipartite entangled ones. In our approach, certain isometries whose output subspaces are either symmetric or genuinely entangled in some multipartite...
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Electron energy-loss spectroscopy of excited states of the pyridine molecules
PublicationElectron energy-loss spectra of the pyridine, C5H5N, molecules in the gas phase have been measured to investigate electronic excitation in the energy range 3.5–10 eV. The applied wide range of residual electron energy and the scattering angle range from 10 ◦ to 180 ◦ enabled to differentiate between optically-allowed and -forbidden transitions. These measurements have allowed vertical excitation energies of the triplet excited...
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Entangled Histories vs. the Two-State-Vector Formalism - Towards a Better Understanding of Quantum Temporal Correlations
PublicationThe Two-State-Vector formalism and the Entangled Histories formalism are attempts to betterunderstand quantum correlations in time. Both formalisms share some similarities, but they are notidentical, having subtle differences in their interpretation and manipulation of quantum temporalstructures. However, the main objective of this paper is to prove that, with appropriately definedscalar products, both formalisms can be...
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Enhanced Mobility and Large Linear Nonsaturating Magnetoresistance in the Magnetically Ordered States of TmNiC2
PublicationWe have studied the magnetic, magnetotransport, and galvanomagnetic properties of TmNiC2. We find that the antiferromagnetic and field induced metamagnetic and ferromagnetic orderings do not suppress the charge density wave. The persistence of Fermi surface pockets, open as a result of imperfect nesting accompanying the Peierls transition, results in an electronic carriers mobility of the order of 4 × 103 cm2 V−1 s−1 in ferromagnetic...
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Non-Diophantine Arithmetics in Mathematics, Physics and Psychology
PublicationFor a long time, all thought there was only one geometry — Euclidean geometry. Nevertheless, in the 19th century, many non-Euclidean geometries were discovered. It took almost two millennia to do this. This was the major mathematical discovery and advancement of the 19th century, which changed understanding of mathematics and the work of mathematicians providing innovative insights and tools for mathematical research and applications...
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Cross sections for electron scattering from sulfuryl chloride fluoride (SO2ClF) molecules
PublicationArtykuł prezentuje zmierzone całkowite przekroje czynne oraz obliczone sprężyste i jonizacyjne przekroje czynne na rozpraszanie elektronów na drobinach SO2ClF dla niskich i średnich energii zderzenia. Wyniki porównano z dostępnymi przekrojami czynnymi dla drobin zawierających siarkę jako atom centralny.
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A simple test for quantum channel capacity
PublicationBased on state and channel isomorphism we point out that semidefiniteprogramming can be used as a quick test for nonzero one-way quantum channelcapacity. This can be achieved by searching for symmetric extensions of statesisomorphic to a given quantum channel. With this method we provide examplesof quantum channels that can lead to high entanglement transmission but stillhave zero one-way capacity, in particular, regions of symmetric...
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Low-energy positron scattering from gas-phase uracil
PublicationQuantum scattering calculations are presented for the interaction of low energy positrons with the uracil molecule, an important component of biological systems. The rotational elastic and inelastic cross sections and vibrational inelastic cross sections are reported and compared with existing experiments, indicating a general trend of the cross sections different from the experimental findings and in line with what should be expected...
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Steering is an essential feature of non-locality in quantum theory
PublicationA physical theory is called non-local when observers can produce instantaneous effects over distant systems. Non-local theories rely on two fundamental effects: local uncertainty relations and steering of physical states at a distance. In quantum mechanics, the former one dominates the other in a well-known class of non-local games known as XOR games. In particular, optimal quantum strategies for XOR games are completely determined...
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Production of singlet oxygen atoms by photodissociation of oxywater
PublicationQuantum chemical calculations are reported for the energies of the few lowest electronic singlet states of oxywater along dissociation of the oxygen-oxygen bond into water and singlet oxygen using multistate multireference second-order Møller–Plesset perturbation theory. We compute an energy of 21 kcal/mol to remove one oxygen atom in the lowest singlet state. The two lowest excited singlet states have vertical excitation energies...
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Magnetoacoustic heating in a quasi-isentropic magnetic gas
PublicationThe 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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Unifying Aspects of Generalized Calculus
PublicationNon-Newtonian calculus naturally unifies various ideas that have occurred over the years in the field of generalized thermostatistics, or in the borderland between classical and quantum information theory. The formalism, being very general, is as simple as the calculus we know from undergraduate courses of mathematics. Its theoretical potential is huge, and yet it remains unknown or unappreciated.
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Hyperfine Structure Study of Several Lines of207Pb I – Part II
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Low-energy positron scattering from gas-phase tetrahydrofuran: A quantum treatment of the dynamics and a comparison with experiments
PublicationIn this paper we report new quantum calculations of the dynamics for low-energy positrons interacting with gaseous molecules of tetrahydrofuran. The new quantum scattering cross sections are differential and integral cross sections at collision energies between 1.0 and 25.0 eV and include a careful treatment of the additional effects on the scattering process brought about by the permanent dipole moment of the target molecule....
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Electron attachment to hexafluoropropylene oxide (HFPO)
PublicationWe probe the electron attachment in hexafluoropropylene oxide (HFPO), C3F6O, a gas widely used in plasma technologies. We determine the absolute electron attachment cross section using two completely different experimental approaches: (i) a crossed-beam experiment at single collision conditions (local pressures of 5 × 10−4 mbar) and (ii) a pulsed Townsend experiment at pressures of 20–100 mbar. In the latter method, the cross sections...
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Orthogonality relations for the associated Legendre functions of imaginary order
PublicationOrthogonality relations for the associated Legendre functions of imaginary order are derived. They are expressed in terms of the Dirac delta function. The method is based on some known properties of the associated Legendre functions and the Dirac delta distribution. A special case of one of the relations has appeared in some recent applications.
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Stark effect of atomic helium second triplet series in electric fields up to 1600 kV cm−1
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Interaction of Acoustic and Thermal Modes in the Gas with Nonequilibrium Chemical Reactions: Possibilities of Acoustic Cooling
PublicationNonlinear generation of thermal mode during propagation of dominative sound in a chemically reacting gas is considered. The dynamic equation of excess temperature associated with the thermal mode is derived. It is instantaneous and includes quadratic nonlinear acoustic source reflecting the nonlinear character of interaction between acoustic and non-acoustic types of gas motion. Both periodic and aperiodic sound may be considered...
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System information propagation for composite structures
PublicationWe study in details decoherence process of a spin register, coupled to a spin environment. We use recently developed methods of information transfer study in open quantum systems to analyze information flow between the register and its environment. We show that there are regimes when not only the register decoheres effectively to a classical bit string, but this bit string is redundantly encoded in the environment, making it available...
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Dynamic polarizability of the relativistic hydrogenlike atom: Application of the Sturmian expansion of the Dirac-Coulomb Green function
PublicationWe utilize the Sturmian expansion of the Dirac-Coulomb Green function [R. Szmytkowski, J. Phys. B 30, 825 (1997)] to obtain components of the dynamic dipole polarizability tensor of the relativistic hydrogenlike atom in the ground state. It is found that the tensor may be expressed in terms of two independent quantities: a scalar polarizability and a vector polarizability, the latter being of the relativistic origin. In the static...
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Hyperfine structure and isotope shift study in singly ionized lead
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Photophysics of a Ruthenium 4H-Imidazole Panchromatic Dye in Interaction with Titanium Dioxide
PublicationThe photophysics of bis(4,4′-di-tert-butyl-2,2′-bipyridine-κ2N,N′)[2-(4-carboxyphenyl)-4,5-bis(p-tolylimino-κN)imidazolato]ruthenium(II) hexafluorophosphate is investigated, both in solution and attached to a nanocrystalline TiO2 film. The studied substitution pattern of the 4H-imidazole ligand is observed to block a photoinduced structural reorganization pathway within the 4H-imidazole ligand that has been previously investigated....
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Anomalous Behavior of Hyaluronan Crosslinking Due to the Presence of Excess Phospholipids in the Articular Cartilage System of Osteoarthritis
PublicationLubrication of articular cartilage is a complex multiscale phenomenon in synovial joint organ systems. In these systems, synovial fluid properties result from synergistic interactions between a variety of molecular constituent. Two molecular classes in particular are of importance in understanding lubrication mechanisms: hyaluronic acid and phospholipids. The purpose of this study is to evaluate interactions between hyaluronic acid...
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Jahn-Teller and related conical intersections in the benzene radical cation and the monofluoro derivate
PublicationThe multi-state multi-mode vibronic interactions in the benzene radical cation and its monofluoro derivative have been investigated theoretically, based on high-level electronic structure calculations for the system parameters and a quantum treatment of the nuclear motion. The available experimental data are well reproduced. The interplay of different vibronic coupling mechanisms is pointed out leading to multiple nonadiabatic...
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Nonlinear generation of non-acoustic modes by low-frequency sound in a vibrationally relaxing gas
PublicationTwo dynamic equations referring to a weakly nonlinear and weakly dispersive flow of a gas in which molecular vibrational relaxation takes place. are derived. The first one governs an excess temperature associated with the thermal mode, and the second one describes variations in vibrational energy. Both quantities refer to non-wave types of gas motion. These variations are caused by the nonlinear transfer of acoustic energy into...
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Two-spinors, oscillator algebras, and qubits: aspects of manifestly covariant approach to relativistic quantum information
PublicationThe first part of the paper reviews applications of 2-spinor methods to relativistic qubits (analogies between tetrads in Minkowski space and 2-qubit states, qubits defined by means of null directions and their role for elimination of the Peres-Scudo-Terno phenomenon, advantages and disadvantages of relativistic polarization operators defined by the Pauli-Lubanski vector, manifestly covariant approach to unitary representations...