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Search results for: TOLERANT QUANTUM COMPUTATION
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Optical Theorem Helps Understand Thresholds of Lasing in Microcavities With Active Regions
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Coupled cluster and DFT calculations of 14N nuclear quadrupole coupling constants
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Variational principles for bound states of Schrödinger and Dirac equations allowing the use of discontinuous trial functions
PublicationWe present systematic constructions of variational principles for energies of bound states of the Schroedinger and Dirac equations. The principles allow the use of discontinuous trial functions. The method employed is based on a generalized Lagrange procedure. Relationships between our variational principles and those available in the literature are established.
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Can cooperativity in hydrophobic association be reproduced correctly by implicit solvation models?
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Electric and magnetic dipole shielding constans for the ground state of the relativistic hydrogen-like atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublicationStosując rozwinięcie sturmowskie funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla stałych ekranowania elektrycznego i magnetycznego relatywistycznego atomu wodoropodobnego w stanie podstawowym.
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Large-scale DFT calculations in implicit solvent-A case study on the T4 lysozyme L99A/M102Q protein
PublicationW ostatnich latach zaproponowano szereg modeli typu implicit solvent, ktore bazują na bezpośrednim rozwiązaniu niejednorodnego równania Poissona w przestrzeni rzeczywistej. Modele te charakteryzują się elegancją, ponieważ wnęka, w której umieszczona jest molekuła substancji rozpuszczanej zdefiniowana jest bezpośrednio w funkcji gęstości elektronowej, a rozkład ładunku jest w sposób samouzgodniony polaryzowany dzięki reakcji dielektryka,...
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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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On dynamic equations with deviating arguments
PublicationPraca dotyczy istnienia rozwiązań równań dynamicznych z odchylonymi argumentami. Podane zostały warunki dostateczne na istnienie rozwiązania. Dwa przykłady ilustrują otrzymane wyniki.
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On nonlinear two-point boundary value problems for impulsive differential-algebraic problems [online]
PublicationSformułowano warunki dostateczne na istnienie ekstremalnych rozwiązań dla zagadnień brzegowych dla równań różniczkowo-algebraicznych z impulsami. Badano też nierówności różniczkowo-algebraiczne z impulsami przy odpowiednich warunkach brzegowych. Na przykładzie zilustrowano otrzymane wyniki.
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Positive solutions for three-point one-dimensional p-Laplacian boundary value problems with advanced arguments [online]
PublicationPraca dotyczy problemów istnienia dodatnich rozwiązań dla trzy-punktowych zagadnień brzegowych z wyprzedzonymi argumentami. Zastosowano twierdzenie Avery-Petersona o punkcie stałym aby uzyskać warunki dostateczne na istnienie conajmniej trzech dodatnich rozwiązań.
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Boundary value problems for differential equations with deviated arguments which depend on the unknown solution
PublicationDyskutowane są zagadnienia brzegowe dla równań różniczkowo funkcyjnych pierwszego rzędu z odchylonym argumentem zależnym od nieznanego rozwiązania. Sformułowane są warunki dostateczne isnienia quasirozwiązań i rozwiązań takich zagadnień.
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On differential-algebraic problems
PublicationW pracy podano warunki dostateczne na istnienie ekstremalnych lubkwazi rozwiązań dla problemów różniczkowo-algebraicznych z nieliniowymi warunkami brzegowymi. Problem istnienia jednego rozwiązania w/w zagadnień był również dyskutowany.
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Positive solutions of three-point boundary value problems for second order impulsive differential equations with advanced arguments
PublicationW pracy dyskutowano problem istnienia dodatnich rozwiązań dla równań różniczkowych z impulsami rzędu drugiego i z argumentami typu wyprzedzonego. Podano warunki dostateczne na istnienie jednego lub dwóch rozwiązań dodatnich takich zagadnień.
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Positive solutions to second order four-point boundary value problems for impulsive differential equations
PublicationPraca dotyczy problemów brzegowych dla równań różniczkowych drugiego rzędu z impulsami. Podane zostały warunki dostateczne na istnienie trzech dodatnich rozwiązań takich problemów z czteropunktowymi warunkami brzegowymi. W badaniach korzystano z twierdzenia Leggetta-Williamsa.
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First-order advanced difference equations
PublicationBadano istnienie rozwiązań równań różnicowych rzędu pierwszego z wyprzedzonymi argumentami. Podano warunki na istnienie jedynego rozwiązania. Przedmiotem badań były też nierówności różnicowe związane z w/w równaniami różnicowymi. Otrzymane wyniki zilustrowano na przykładzie.
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Diffusion process modeling by using fractional-order models
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Chromatic cost coloring of weighted bipartite graphs
PublicationGiven a graph G and a sequence of color costs C, the Cost Coloring optimization problem consists in finding a coloring of G with the smallest total cost with respect to C. We present an analysis of this problem with respect to weighted bipartite graphs. We specify for which finite sequences of color costs the problem is NP-hard and we present an exact polynomial algorithm for the other finite sequences. These results are then extended...
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A new approach to numerical solution of fixed-point problems and its application to delay differential equations
PublicationW pracy rozpatruje się pewne aproksymacje punktu stałego ciągłego operatora A odwzorowującego przestrzeń metryczną w siebie. Wspomniany punkt stały przybliża się tzw. epsilon przybliżonym punktem stałym z przestrzeni skończenie wymiarowej. Udowodnione zostało twierdzenie dające warunki konieczne i dostateczne istnienia punktu stałego w ogólnej przestrzeni metrycznej. Warunki te wyrażone są w terminach epsilon przybliżonego punktu...
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Boundary vlue problems for difference equations with causal operators
PublicationPraca dotyczy problemów brzegowych dla równań różnicowych.Podano warunki dostateczne na istnienie ekstremalnych rozwiązań stosując metodę iteracji monotonicznych.
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Average distance is submultiplicative and subadditive with respect to the strong product of graphs
PublicationWe show that the average distance is submultiplicative and subadditive on the set of non-trivial connected graphs with respect to the strong product. We also give an application of the above-mentioned result.
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Mathematical analysis of a generalised p53-Mdm2 protein gene expression model
PublicationWe propose the generalisation of the p53-Mdm2 protein gene expression model introduced by Monk (2003). We investigate the stability of a unique positive steady state and formulate conditions which guarantee the occurrence of the Hopf bifurcation. We show that oscillatory behaviour can be caused not only by time lag in protein transcription process, but also can be present in the model without time delay. Moreover, we investigate...
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Green function diagonal for a class of heat equations
PublicationA construction of the heat kernel diagonal is considered as element of generalized zeta function theory, which gradient at the origin defines determinant of a differential operator in a technique for regularizing quadratic path integral. Some classes of explicit expressions of the Green function in the case of finite-gap potential coefficient of the heat equation are constructed. An algorithm and program for Mathematica are presented...
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Fractional problems with advanced arguments
PublicationThis paper concerns boundary fractional differential problems with advanced arguments. We investigate the existence of initial value problems when the initial point is given at the end point of an interval. Nonhomogeneous linear fractional differential equations are also studied. The existence of solutions for fractional differential equations with advanced arguments and with boundary value problems has been investigated by using...
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Positive solutions to fractional differential equations involving Stieltjes integral conditions
PublicationIn this paper, we investigate nonlocal boundary value problems for fractional differential equations with dependence on the first-order derivatives and deviating arguments. Sufficient conditions which guarantee the existence of at least three positive solutions are new and obtained by using the Avery–Peterson theorem. We discuss problems (1) and (2) when argument b can change the character on [0, 1], so in some subinterval I of...
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Monotone iterative method for first-order differential equations at resonance
PublicationThis paper concerns the application of the monotone iterative technique for first-order differential equations involving Stieltjes integrals conditions. We discuss such problems at resonance when the measure in the Stieltjes integral is positive and also when this measure changes the sign. Sufficient conditions which guarantee the existence of extremal, unique and quasi-solutions are given. Three examples illustrate the results.
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Initial value problems for neutral fractional differential equations involving a Riemann-Liouville derivative
PublicationBadano równania neutralne typu ułamkowego z odchylonym argumentem. Podano warunki dostateczne na istnienie jednego rozwiązania.
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Existence results to delay fractional differential equations with nonlinear boundary conditions
PublicationPraca dotyczy problemów brzegowych dla ułamkowych równań różniczkowych z opóźnionym argumentem. Podano warunki dostateczne na istnienie rozwiązań ekstremalnych takich zagadnień.
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Existence of solutions for a coupled system of difference equations with cousal operators
PublicationPraca dotyczy układów równań różnicowych. Podano warunki dostateczne na istnienie rozwiązań takich problemów. Badano również nierówności różnicowe.
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W-dominance: Tradeoff-inspired dominance relation for preference-based evolutionary multi-objective optimization
PublicationThe paper presents a method of incorporating decision maker preferences into multi-objective meta-heuristics. It is based on tradeoffcoefficients and extends their applicability from bi-objective to multi-objective. The method assumes that a decision maker specifies a priori each objective’s importance as a weight interval. Based on this, w-dominance relation is introduced, which extends Pareto dominance. By replacing reference...
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Can architecture be 11-dimensional? The nature of space in the architecture of the digital world era
PublicationThis research aims to explore the development of architectural theories about ‘architectural dimensions’ and look at architecture as a multidimensional space. It is important to understand that with today's development of virtual reality technology and through the combination of theories of physics and architecture, a new possibility of creating space has emerged. The arguments are made through inductive reasoning and grounded...
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Charge dependence of fragmentation process induced by ion collisions with furan molecule
PublicationThe goal of this work is to describe the system evolution after ion-molecule interaction. We combine different quantum chemistry and statistical mechanics approaches in order to give extended description of the process. Herein we report on a recent study of the fragmentation mechanism of neutral, singly- and doubly-ionized furan molecule in the gas phase.
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Entanglement-swapping boxes and their communication properties
PublicationWe pose the fundamental question of communication properties of primitives irrespectively of their implementation. To illustrate the idea we introduce the concept of entanglement-swapping boxes, i.e., we consider any quantum operations which perform entanglement swapping, not necessarily via simple quantum teleportation. We ask a question about the properties of such boxes, i.e., what local operations and how much classical communication...
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NbIr 2 B 2 and TaIr 2 B 2 – New Low Symmetry Noncentrosymmetric Superconductors with Strong Spin–Orbit Coupling
PublicationSuperconductivity was first observed more than a century ago, but the search for new superconducting materials remains a challenge. The Cooper pairs in superconductors are ideal embodiments of quantum entanglement. Thus, novel superconductors can be critical for both learning about electronic systems in condensed matter and for possible application in future quantum technologies. Here two previously unreported materials, NbIr2B2...
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DYNAMICOL Ultrafast Charge Transfer in ion atom collision investigated by Molecular Quantum Dynamics Methods
ProjectsProject realized in Faculty of Applied Physics and Mathematics according to PERG08-GA-2010-277201 agreement from 2011-02-22
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Parallel multithread computing for spectroscopic analysis in optical coherence tomography
PublicationSpectroscopic Optical Coherence Tomography (SOCT) is an extension of Optical Coherence Tomography (OCT). It allows gathering spectroscopic information from individual scattering points inside the sample. It is based on time-frequency analysis of interferometric signals. Such analysis requires calculating hundreds of Fourier transforms while performing a single A-scan. Additionally, further processing of acquired spectroscopic information...
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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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International Symposium on Fundamentals of Computation Theory (International Symposium on Fundamentals of Computer Theory)
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Comparison of Tracking Methods in Respect of Automation of Animal Behavioral Test
PublicationAutomation in experiments carried out on animals is getting more and more important in research. Computers take over laborious and time-consuming activities like recording and analysing images of experiment scene. The first step in an image analysis is finding and distinguishing between the observed animals, and then tracking all objects during the experiment. In this paper four tracking methods are presented. Quantitative and...
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Speed sensorless ac drive with inverter output filter and fault detection using load torque signal
PublicationIn this paper, a sensorless induction motor (IM) drive using speed observer system is presented. The system includes load torque computation for gear fault detection. Nonlinear control method is adopted for controlling the motor over a wide speed range. An LC filter for smoothing current and voltage waveforms is used at the output of the voltage inverter. The use of filter imposes more building of the used observer to avoid using...
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Stark effect of atomic helium singlet lines
PublicationWe present experimental and theoretical investigations of the He spectral series 2S1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) and 2P1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) in electric fields up to 1635 kV/cm. Apart from the allowed transitions with |ΔL|=1, the transitions with |ΔL|=0,2,3,…-without field strictly forbidden-were observed. Several He patterns become similar to hydrogen patterns, which means they are nearly symmetric and show in higher fields...
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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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Duhem and Natanson: Two Mathematical Approaches to Thermodynamics
PublicationIn this article, the previously unrecognized contributions of Pierre Duhem and Ladislavus Natanson in thermodynamics are shown. The mathematical remodelling of a few of their principal ideas is taken into consideration, despite being neglected in the literature. To emphasize these ideas in an appropriate epistemological order, it would be crucial to first revalue and reconstruct some underrepresented parts of the proceedings process...
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Analytical progress on symmetric geometric discord: Measurement-based upper bounds
PublicationQuantum correlations may be measured by means of the distance of the state to the subclass ofstates having well defined classical properties. In particular, a geometric measure of asymmetricdiscord [Daki´c et al., Phys. Rev. Lett. 105, 190502 (2010)] was recently defined as the Hilbert-Schmidt distance of a given two-qubit state to the closest classical-quantum (CQ) correlated state.We analyze a geometric measure of symmetric...
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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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The complete lists of 1D reversible number-conserving cellular automata with radius one of up to 7 states
Open Research DataThis dataset contains complete lists of all one-dimensional reversible number-conserving k-ary cellular automata with radius one of up to 7 states, i.e. with state sets {0,1}, {0,1,2}, {0,1,2,3}, {0,1,2,3,4}, {0,1,2,3,4,5} and {0,1,2,3,4,5,6}.
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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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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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A variational approach of homogenization of piezoelectric composites towards piezoelectric and flexoelectric effective media
PublicationThe effective piezoelectric properties of heterogeneous materials are evaluated in the context of periodic homogenization, whereby a variational formulation is developed, articulated with the extended Hill macrohomogeneity condition. The entire set of homogenized piezoelectric moduli is obtained as the volumetric averages of the microscopic properties of the individual constituents weighted by the displacement and polarization...
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Optimum Control of Gyroscopic Systems
PublicationThe problem of optimum control of transverse rotor vibrations with gyroscopic interactions has been described and solved in the paper. An integral performance index has been defined for such system in order to minimize vibration level of a chosen rotor point. For this reason, an efficient way of finding the weight coefficients of integral performance index for multi-degrees-of-freedom system with gyroscopic interactions has been...
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Shape Optimisation of Kaplan Turbine Blades Using Genetic Algorithms
PublicationThis monograph is a comprehensive guide to a method of blade profile optimisation for Kaplan-type turbines. This method is based on modelling the interaction between rotor and stator blades. Additionally, the shape of the draft tube is investigated. The influence of the periodic boundary condition vs. full geometry is also discussed. Evolutionary algorithms (EA) are used as an optimisation method together with artificial neural...