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Wyniki wyszukiwania dla: QUANTUM BEATS
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Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublikacjaThis 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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Large-scale DFT calculations in implicit solvent-A case study on the T4 lysozyme L99A/M102Q protein
PublikacjaW 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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Dipole-bound anions supported by charge-transfer interaction: Anionic states of HnF3?nN ? BH3 and H3N ? BHnF3?n (n = 0, 1, 2, 3)
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Toward the preparation of the HAuF6 , HAu2 F11 , and HAu3 F16 superacids: Theoretical study
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Low-energy (0.1 eV) electron attachment S?S bond cleavage assisted by Coulomb stabilization
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Coupled cluster and DFT calculations of 14N nuclear quadrupole coupling constants
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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
PublikacjaStosując 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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Optical Theorem Helps Understand Thresholds of Lasing in Microcavities With Active Regions
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Variational principles for bound states of Schrödinger and Dirac equations allowing the use of discontinuous trial functions
PublikacjaWe present systematic constructions of variational principles for energies of bound states of the Schroedinger and Dirac equations. The principles allow the use of discontinuous trial functions. The method employed is based on a generalized Lagrange procedure. Relationships between our variational principles and those available in the literature are established.
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Temper bead welding of S420G2+M steel in water environment
PublikacjaThe article presents the idea of the use of Temper Bead Welding (TBW) technique to improve the weldability of high strength steel at underwater wet welding conditions. Wet welding method with the use of covered electrodes is described. This work shows results of metallographic examinations and hardness measurements of samples of S420G2+M steel with weld beads performed under water. It has been shown that Temper Bead Welding technique...
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Can architecture be 11-dimensional? The nature of space in the architecture of the digital world era
PublikacjaThis 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
PublikacjaThe 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
PublikacjaWe 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
PublikacjaSuperconductivity 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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Alternative way of the main reinforcement anchorage in reinforced short cantilevers
PublikacjaThe results of the experimental investigation of the reinforced corbels and dapped end beams with steel studs were introduced in the work. The efficiency of this type of the reinforcement was compared with the typical reinforcenet applied in reinforced conctrete construcions.
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Beata Mysliwa-Kurdziel dr hab
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On some problems in determining tensile parameters of concrete model from size effect tests
PublikacjaThe paper presents results of numerical simulations of size effect phenomenon in concrete specimens. The behaviour of in-plane geometrically similar notched and unnotched beams under three-point bending is investigated. In total 18 beams are analysed. Concrete beams of four different sizes and five different notch to depth ratios are simulated. Two methods are applied to describe cracks. First, an elasto-plastic constitutive law...
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DYNAMICOL Ultrafast Charge Transfer in ion atom collision investigated by Molecular Quantum Dynamics Methods
ProjektyProjekt realizowany w Wydział Fizyki Technicznej i Matematyki Stosowanej zgodnie z porozumieniem PERG08-GA-2010-277201 z dnia 2011-02-22
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Beata Klimas pusty
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Unifying Aspects of Generalized Calculus
PublikacjaNon-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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Silicatization of fly ashes a harmless way of the wastes utilization.
PublikacjaArtykuł przedstawia osiągnięcia w pracach nad wykorzystaniem popiołów lotnych do formowania nowego materiału budowlanego, nazwanego kompozytem krzemianowo-popiołowym. Przedstawiono charakterystykę fizyko-mechaniczną omawianego materiału.
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Osady ściekowe z gdańskich oczyszczalni ścieków - potencjalne możliwości nieprzemysłowego wykorzystania
PublikacjaW artykule przedstawiono możliwości przyrodniczego wykorzystania osadów ściekowych z gdańskich oczyszczalni ścieków. Na bazie aktualnie obowiązującego stanu prawnego i charakterystyki wytwarzanych odpadów, przedstawiono - w formie propozycji - możliwości i kierunki nieprzemysłowego wykorzystania osadów ściekowych powstających w oczyszczalniach ścieków "Gdańsk - Wschód" i "Zaspa".
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Autocorrelation function for the chosen effective potential of the diatomic silver anion
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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REINFORCED CONCRETE SUPPORTING CONSTRUCTION OF THE STADIUM COVER FOR EURO 2012 IN GDAŃSK
PublikacjaIn the article structural issues that connected with the reinforced concrete supporting construction of the stadium roofing for EURO 2012 in Gdańsk were described. In the first part of the article the concept of stadium foundation were described. In the second the static - strength analysis for two variants fastening together individual foundation elements were made. The two assumed geometrically different concept of foundation...
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Local buckling of compressed flange of cold-formed channel members made of aluminum alloy
PublikacjaThe paper deals with local buckling of a compressed single flange of thin-walled channel cold- formed columns and beams made of aluminum alloy. Material is described by means of the Ramberg-Osgood constitutive equation. Axial compression of the columns and beams undergoing bending is taken into consid- eration. A simple model of the member flange in the form a long beam elastically connected to the web is used to find the critical...
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Mesoscopic simulations of crack propagation in concrete using cohesive elements
PublikacjaThe paper presents results of two-and three-dimensional meso-scale simulations of fracture in notched concrete beams subjected to three-point bending test. Concrete was assumed as a 3-phase material composed of aggregate grains placed in the cement matrix with Interfacial Transitional Zones (ITZs) between then. In 2D simulations macro-voids were also taken into account. The particle distribution was taken from real concrete beams...
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Stark effect of atomic helium singlet lines
PublikacjaWe 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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Duhem and Natanson: Two Mathematical Approaches to Thermodynamics
PublikacjaIn 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
PublikacjaQuantum 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
PublikacjaWe 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 luminescence study of (C10H16N)2MnBr4 Organic–Inorganic Hybrid
Dane BadawczeOrganic–inorganic hybrid metal halides have recently attracted attention in the global research field for their bright light emission, tunable photoluminescence wavelength, and convenient synthesis method. This study reports the detailed properties of (C10H16N)2MnBr4, which emits bright green light with a high photoluminescence quantum yield. Results...
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AFM and SSRM investiagtion of carbon nanowalls properties
Dane BadawczeStructures with limited dimensionality are of great interest in modern nanotechnology. The properties of these objects are used, among others, for the construction of modern displays or as a base for quantum computers. Carbon nanowalls, which are the subject of the imaging results contained in this collection, are also considered interesting building...
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Computed vibrational excitation ofCF4by low-energy electrons and positrons: Comparing calculations and experiments
PublikacjaQuantum 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
PublikacjaAdiabatic 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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Differentiating patients with obstructive sleep apnea from healthy controls based on heart rate-blood pressure coupling quantified by entropy-based indices
PublikacjaWe introduce an entropy-based classification method for pairs of sequences (ECPS) for quantifying mutual dependencies in heart rate and beat-to-beat blood pressure recordings. The purpose of the method is to build a classifier for data in which each item consists of two intertwined data series taken for each subject. The method is based on ordinal patterns and uses entropy-like indices. Machine learning is used to select a subset...
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Aniela Beata Mikulska dr
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Enhancement of the Magnetic Coupling in Exfoliated CrCl 3 Crystals Observed by Low‐Temperature Magnetic Force Microscopy and X‐ray Magnetic Circular Dichroism
PublikacjaMagnetic crystals formed by 2D layers interacting by weak van der Waals forces are currently a hot research topic. When these crystals are thinned to nanometric size, they can manifest strikingly different magnetic behavior compared to the bulk form. This can be the result of, for example, quantum electronic confinement effects, the presence of defects, or pinning of the crystallographic structure in metastable phases induced by...
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Impact of dyes isomerization effect on the charge transfer phenomenon occurring on the dye/nanosemiconductor interface
PublikacjaThe present work aimed to find the answer how does the isomerization of the Ru based dyes affect the overall photon-to-current efficiency of the DSSCs and to explain the charge transfer phenomenon occurring on the dye/ nanosemiconductor interface. Therefore, electronic and optical properties of three bipyridine derivatives anchored on the TiO2 electrode were investigated by computational simulations based on quantum chemistry codes...
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PROBLEMY RACJONALNEGO ZASTOSOWANIA SYSTEMÓW DIAGNOZUJĄCYCH DO PODEJMOWANIA DECYZJI W FAZIE EKSPLOATACJI URZĄDZEŃ ENERGETYCZNYCH Z UWZGLĘDNIENIEM ZAGADNIEŃ KWANTOWYCH
PublikacjaW rozdziale przedstawiono najistotniejsze problemy pojawiające się w fazie projektowania, wytwarzania i eksploatacji systemów diagnozujących (SDG) urządzeń energetycznych (będących systemami diagnozowanymi – SDN), w przypadku przysposabiania ich do opracowania finalnej diagnozy eksploatacyjnej. Przestawiono opisową i formalną interpretację pojęcia systemu diagnozującego (SDG). Zaproponowano modele procesu diagnozowania urządzeń...
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The influence of small intestinal mucus structure on particle transport ex vivo
PublikacjaMucus provides a barrier to bacteria and toxins while allowing nutrient absorption and waste transport. Unlike colonic mucus, small intestinal mucus structure is poorly understood. This study aimed to provide evidence for a continuous, structured mucus layer and assess the diffusion of different sized particles through it. Mucus structure was assessed by histology and immunohistochemistry. Ultra-structure was assessed by scanning...
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Beata Zalewska-Piątek dr hab.
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Pozytywne zarządzanie organizacjami (2021_22) - Zaoczne
Kursy OnlineProwadzący: dr hab. Beata Basińska, prof. uczelni
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Chromium Cluster Luminescence: Advancing Near‐Infrared Light‐Emitting Diode Design for Next‐Generation Broadband Compact Light Sources
Dane BadawczeIn modern technology devices, an energy-saving miniature near-infrared (NIR) light source plays a critical role in non-destructive, non-invasive sensing applications and further advancement of technology. This dataset reports the broadband NIR luminescence of Cr3+ clusters for designing phosphor-converted NIR light-emitting diodes as an alternative...
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A study on microcrack monitoring in concrete: discrete element method simulations of acoustic emission for non-destructive diagnostics
PublikacjaThe research is focused on the monitoring of fracture evolution in concrete beams under three-point bending using the acoustic emission technique and the discrete element method. The main objective of the study was to numerically and experimentally investigate the mechanism behind the generation of elastic waves during acoustic emission events and their interaction with micro- and macro-cracking in concrete beams under monotonic...
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Two-dimensional simulations of concrete fracture at aggregate level with cohesive elements based on X-ray lCT images
PublikacjaThe paper presents results of two-dimensional meso-scale simulations of fracture in notched concrete beams subjected to three-point bending test. Concrete was assumed as a 4-phase material composed of aggregate grains placed in the cement matrix, interfacial transitional zones (ITZs) and macro-voids. The particle distribution was taken from real concrete beams on the basis of X-ray lCT images. Comprehensive numerical analyses were carried...
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DFT studies of the refractive index of boron-doped diamond
PublikacjaThe density functional theory is one of the optimal solutions in calculation of optical properties of materials on the quantum scale. In this paper, we have investigated the refractive index of a boron-doped diamond structure with the usage of Atomistic Toolkit software from Synopsys. During this study, various methods and pseudopotentials were checked to obtain an optimal performanceaccuracy method for calculation of such materials....
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Crystallization of space: Space-time fractals from fractal arithmetic
PublikacjaFractals 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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Experimental Extraction of Secure Correlations from a Noisy Private State
PublikacjaWe report experimental generation of a noisy entangled four-photon state that exhibits a separation between the secure key contents and distillable entanglement, a hallmark feature of the recently established quantum theory of private states. The privacy analysis, based on the full tomographic reconstruction of the prepared state, is utilized in a proof-of-principle key generation. The inferiority of distillation-based strategies...
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Green strength (buildability performance) of concretes containing magnetite aggregate (M0-M100) mixes
Dane BadawczeRaw data for determination of buildability (green strength) properties of concrete mixes determined by squeezing test using QuantumX MX840B with CATMAN-EASY software, determined after 15, 30, 45 and 60 minutes. Values present force and two displacement measurements by LVDT.Additionally, an Origin (*.opju) file with processed data presenting stress-strain...