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Instytut Fizyki i Informatyki Stosowanej
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Catalog Publications
Year 2007
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12 [Chapter]. Bound entanglement
PublicationKwantowe splątanie jest jednym z podstawowych elementów kwantowej teorii informacji. Jak wiadomo niskowymiarowe (2otimes 2 i 2otimes 3) splątane stany kwantowe są zawsze destylowalne. W wyższych wymiarach jednak istnieją stany, które mimo, że są splątane nie pozwalają na destylację. Ten rodzaj splątania, nazywany związanym, jest często trudny do wykrycia i pozornie bezużyteczny. Jak pokazują jednak liczne badania splątanie związane...
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Addendum to ''On the derivative of the Legendre function of the first kind with respect to its degree''
PublicationPraca stanowi uzupełnienie wcześniejszej publikacji autora [J. Phys. A: Math. Gen. 39(2006) 15147-15172]. Przedstawiono w niej nowe wyrażenia dla pochodnej funkcji Legendre'a względem jej indeksu i zastosowano je do konstrukcji dwóch nowych reprezentacji funkcji Legendre'a drugiego rodzaju z całkowitym indeksem.
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Advances in Atomic and Molecular Spectroscopy
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Year 2006
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2D lattice model for fracture in brittle materials
PublicationW artykule przedstawiono wyniki obliczeń propagacji rys w elementach betonowych przy zastosowaniu modelu dyskretnego opartego na ruszcie belkowym. Obliczenia wykonano dla różnych problemów brzegowych.
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Absolute total cross-section measurements for electron collision with tetrahydrofuran
PublicationZmierzono absolutny, całkowity przekrój czynny na rozpraszanie elektronów na drobinach tetrahydrofuranu (C4H8O) w zakresie energii zderzenia 1-370 eV. Otrzymane wyniki pozostają w dobrej zgodności z sumą obliczonych przekrojów elestycznych i jonizacyjnych. Przeprowadzono porównananie z innymi dostępnymi przekrojami czynnymi.
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Abstract DNA-type systems
PublicationAbstrakcyjny system typu DNA jest definiowany przez zestaw nieliniowych kinetycznych równań z wielomianowymi nieliniowościami, które przyjmują rozwiązania solitonowe związane z geometrią helis. Zestaw równań pozwala na dwie różne reprezentacje Laxa: forma von Neumanna i Darboux-kowariantna para Laxa. Wyjaśniamy dlaczego nie-Kolmogorowskie modele prawdopodobieństwa pojawiające się w kinetyce solitonowej są naturalnie związane z...
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An ab initio study of the excited states of the vinoxy radical
PublicationMetodą ab initio obliczone zostały powierzchnie energii potencjalnej oraz radialne sprzężenia nieadiabatyczne. Rozpatrzono podprzestrzeń dwóch aktywnych kątów zaangażowanych w proces fotodysocjacji. Opracowany został schemat kwaziadiabatyczny w sąsiedztwie przecięcia stożkowego. Przedyskutowano niektóre konsekwencje możliwego mechanizmu fotodysocjacji winoksylu z różnych ścieżek formacji.
Year 2009
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41st European Group for Atomic Systems Conference Book of Abstracts
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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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Acoustic streaming caused by some types of aperiodic sound. Buildup of acoustic streaming
PublicationThe analysis of streaming caused by aperiodic sound of different types (switched on at transducer sound or sound determined by initial conditions) is undertaken. The analysis bases on analytical governing equation for streaming Eulerian velocity, which is a result of decomposition of the hydrodynamic equations into acoustic and non-acoustic parts. Its driving force (of acoustic nature) represents a sum of two terms; one is the...
Year 2010
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A 3D lattice model to describe fracture process in fibrous concrete
PublicationArtykuł omawia wyniki modelowania procesu zarysowania w elementach betonowych zawierające stalowe włókna przy zastosowaniu dyskretnego modelu kratownicowego. Beton był modelowany na poziomie mezoskali z uwzględnieniem 5 faz: kruszywa, zaczynu cementowego, włókien i obu stref kontaktu. Obliczenia trójwymiarowe wykonano dla jednoosiowego rozciągania.
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A few steps more towards NPT bound entanglement
PublicationIn this paper, existence of bound entangled states with nonpositive partial transpose (NPT) is considered. As one knows, existence of such states would in particular imply nonadditivity of distillable entanglement. Moreover, it would rule out a simple mathematical description of the set of distillable states. The particular state, known to be 1-copy nondistillable and supposed to be bound entangled, is considered. The problem of...
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A hartree-fock approach to the steklov eigenproblem for a two-electron atom in an s2 state
PublicationW pracy rozważono zagadnienie własne typu Stekłowa (z wartścią własną występującą wyłącznie w liniowym warunku brzegowym) dla nierelatywistycznego atomu dwuelektronowego w stanie s2, znajdującego się wewnątrz wnęki kulistej. Startując z zasady wariacyjnej, wyprowadzono równanie typu Hartree-Focka dla jednoelektronowej radialnej funkcji falowej.
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An orthogonality relation for the Whittaker functions of the second kind of imaginary order
PublicationPrzeprowadzono dowód ortogonalności funkcji Whittakera drugiego rodzaju rzędu urojonego. Użyto metody analogicznej do tej, którą zaprezentowano we wcześniejszej pracy tych samych autorów [J. Math. Anal. Appl. 365 (2010) 195-197], poświęconej funkcjom Macdonalda rzędu urojonego.
Year 2011
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A comparison of geometric analogues of holographic reduced representations, original holographic reduced representations and binary spatter codes
PublicationGeometric Analogues of Holographic Reduced Representations (GA HRR) employ role-filler binding based on geometric products. Atomic objects are real-valued vectors in n-dimensional Euclidean space and complex statements belong to a hierarchy of multivectors. The paper reports a battery of tests aimed at comparison of GA HRR with Holographic Reduced Representation (HRR) and Binary Spatter Codes (BSC). Firstly, we perform a test of...
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Acoustic heating produced in the thermoviscous flow of a bingham plastic
PublicationThis study is devoted to the instantaneous acoustic heating of a Bingham plastic. The model of the Bingham plastic's viscous stress tensor includes the yield stress along with the shear viscosity, which differentiates a Bingham plastic from a viscous Newtonian fluid. A special linear combination of the conservation equations in differential form makes it possible to reduce all acoustic terms in the linear part of of the final equation...
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Acoustic heating produced in the thermoviscous flow of a Bingham plastic
PublicationThis study is devoted to the instantaneous acoustic heating of a Bingham plastic. The model of the Bingham plastic's viscous stress tensor includes the yield stress along with the shear viscosity, which differentiates a Bingham plastic from a viscous Newtonian fluid. A special linear combination of the conservation equations in differential form makes it possible to reduce all acoustic terms in the linear part of of the final equation...
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Acoustic Heating Produced in the Thermoviscous Flow of a Shear-Thinning Fluid
PublicationThis study is devoted to the instantaneous acoustic heating of a shear-thinningfluid. Apparent viscosity of a shear-thinning fluid depends on the shear rate. Thatfeature distinguishes it from a viscous Newtonian fluid. The special linear combi-nation of conservation equations in the differential form makes it possible to derivedynamic equations governing both the sound and non-wave entropy mode inducedin the field of sound. These...
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All Nonclassical Correlations Can Be Activated into Distillable Entanglement
PublicationWe devise a protocol in which general nonclassical multipartite correlations produce a physically relevant effect, leading to the creation of bipartite entanglement. In particular, we show that the relative entropy of quantumness, which measures all nonclassical correlations among subsystems of a quantum system, is equivalent to and can be operationally interpreted as the minimum distillable entanglement generated between the system...
Year 2019
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A correlation between electron-hole pair radii and magnetomodulation of exciplex fluorescence in electron donor-electron acceptor organic systems
PublicationElectric field dependencies of electromodulated photoluminescence and magnitudes of the magnetic-field effect on photoluminescence havebeen measured in vacuum-evaporated films of m-MTDATA [4,4',4"-tris(N-(3-methylphenyl)-N-phenylamino)triphenylamine]:bathophe-nanthroline, m-MTDATA:BCP (bathocuproine), as well as 4,4',4"-tris[2-naphthyl(phenyl)amino]triphenylamine:BCP. The Sano-Tachiya-Noolandi-Hong extension of standard Onsager...
Year 2015
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A dipole-driven path for electron and positron attachments to gas-phase uracil and pyrimidine molecules: a quantum scattering analysis
PublicationElectron and positron scattering processes in the gas-phase are analysed for uracil and pyrimidine molecules using a multichannel quantum approach at energies close to threshold. The special effects on the scattering dynamics induced by the large dipole moments in both molecules on the spatial features of the continuum leptonic wavefunctions are here linked to the possible bound states of the Rydberg-like molecular anions or ‘positroned’...
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A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
PublicationIn this theoretical work, we present a spectroscopic analysis of the cis/trans-isomers of a molecular switch, penta-2,4-dienoic acid, attached to gold clusters of different size (1, 2 and 20 gold atoms). We have simulated 4 different spectroscopic techniques: Infrared spectroscopy, normal Raman scattering, absorption spectra and resonance Raman scattering. We discuss how the position and the conformation of the molecule determine...
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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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Analysis of radiation and scattering problems with the use of hybrid techniques based on the discrete Green's function formulation of the FDTD method
PublicationIn this contribution, simulation scenarios are presented which take advantage of the hybrid techniques based on the discrete Green's function formulation of the finite-difference time-domain (DGF-FDTD) method. DGF-FDTD solutions are compatible with the finite-difference grid and can be applied for perfect hybridization of the FDTD method. The following techniques are considered: (i) DGF-FDTD for antenna simulations, (ii) DGF-based...
Year 2014
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A Dirac delta-type orthogonality relation for the on-the-cut generalized associated Legendre functions of the first kind with imaginary second upper indices
PublicationThe orthogonality relation for the on-the-cut generalized associated Legendre functions of the first kind with imaginary second upper indices is evaluated in a closed form. It is found to be proportional to a sum of two terms, both depending on the second upper indices and containing the Dirac delta distribution.
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Acoustic Streaming Induced by Periodic and Aperiodic Sound in a Bubbly Liquid
PublicationThe vortex ow which follows intense sound propagating in a bubbly liquid, is considered. The reasons for acoustic streaming are both nonlinearity and dispersion. That makes streaming especial as compared with that in a Newtonian uid. Conclusions concern the vortex ow induced in a half-space by initially harmonic or impulse Gaussian beam. The vortex ow recalls a turbulent ow with increasing in time number of small-scale vortices...
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Analysis of higher recombination orders in organic bulk heterojunction solar cells
PublicationRecently, it has been experimentally demonstrated that an order of nongeminate recombination exceeds two in some types of organic bulk heterojunction donor-acceptor structures. This result is different than for the case of bimolecular recombination described by Langevin theory. Although several theoretical explanations of this effect have been presented, the origin of higher recombination orders is still questionable. In this work,...
Year 2020
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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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A simple model of the trap-assisted recombination with the excitonic Auger mechanism
PublicationWe present a simple model of the trap-assisted recombination combined with the excitonic Auger mechanism. It has been shown that only six independent transitions of electrons and holes should be taken into account to describe a combination of the Shockley–Read–Hall (SRH) recombination with this excitonic process. This is in opposition to a well-known model of the SRH mechanism with the free carriers Auger effect via deep states,...
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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...
Year 2008
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A macroscopic device for quantum computation
PublicationPrzeanalizowano mechaniczny model kwantowego układu 2-bitowego. Model jest zilustrowany algorytmem Deutscha i Arvinda.
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A new open-source software developed for numerical simulations usingdiscrete modeling methods
PublicationThe purpose of this work is to present the development of an open-source software based on a discrete description of matter applied to study the behavior of geomaterials. This software uses Object Oriented Programming techniques, and its methodology design uses three different methods, which are the Discrete Element Method (DEM) [F. Donzé, S.A. Magnier, Formulation of a three-dimensional numerical model of brittle behavior, Geophys....
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Acoustic heating in a weakly dispersive fluid flow
PublicationZbadano specyficzną rolę dyspersyjnych własności płynu w generacji ogrzewania przez straty energii fali akustycznej. Przedstawiono ilustracje zaistniałego ogrzewania powstającego na skutek przejścia dwoch typów fal - impulsowej i stacjonarnej.
Year 2012
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A non-adiabatic wavepacket dynamical study of the low energy chargetransfer process in the S3+ + H collision
PublicationThe collisional system S3+ + H?S2+ + H+ has been studied using a time-dependent wavepacket methodologyin two-dimensions. Using available potential energy surfaces and coupling matrix elementsobtained from multireference ab initio calculations, five non-adiabatically coupled electronic states of1P symmetry have been included in the dynamical simulations. The collision has been studied in thelow energy regime of 1-10 eV. The wavepacket...
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A Novel Ru(II) Polypyridine Black Dye Investigated by Resonance Raman Spectroscopy and TDDFT Calculations
PublicationThe optical properties of a new(bipyridine)2Ru(4H-imidazole) complex presenting a remarkablebroad absorption in the visible range are investigated. Thestrong overlap of the absorption with the solar radiationspectrum renders the studied complex promising as a blackabsorber and hence as a starting structure for applications inthe field of dye-sensitized solar cells. The correlations betweenstructural and electronic features for...
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Acoustic heating produced in resonators filled by a newtonian fluid
PublicationAcoustic heating in resonators is studied. The governing equation of acoustic heating is derived by means of the special linear combination of conservation equations in differential form, allowing the reduction of all acoustic terms in the linear part of the final equation, but preserving terms belonging to the thermal mode responsible for heating. This equation is instantaneous and includes nonlinear acoustic terms that form a...
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Acoustic heating produced in the boundary layer
Publication: Instantaneous acoustic heating of a viscous fluid flow in a boundary layer is the subject of investigation. The governing equation of acoustic heating is derived by means of a special linear combination of conservation equations in the differential form, which reduces all acoustic terms in the linear part of the final equation but preserves terms belonging to the thermal mode. The procedure of decomposition is valid in a weakly...
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Alternative approach to the solution of the momentum-space Schrödinger equation for bound states of the N-dimensional Coulomb problem
PublicationW pracy rozważono zagadnienie Schrödingera-Coulomba w R^N, N>=2, w reprezentacji pędowej. Radialne równanie całkowe występujące w stowarzyszonym zagadnieniu sturmowskim rozwiązano, stosując podane przez Ossiciniego symetryczne rozwinięcie typu Poissona funkcji Legendre'a drugiego rodzaju w szereg iloczynów wielomianów Gegenbauera. Następnie wykorzystano relację pomiędzy rozwiązaniami zagadnienia sturmowskiego oraz zagadnienia własnego...
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Analysis and characterization of coordination compounds by resonance Raman spectroscopy
PublicationResonance Raman spectroscopy has become a powerful tool to study excited-state geometries, excited-state charge distributions and photoinduced reaction dynamics in coordination compounds. Due to their rich photophysical properties coordination compounds are utilized for a variety of applications ranging from DNA sensing to photocatalysis. This review features recent applications of various resonance Raman scattering techniques...
Year 2005
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A small-signal sound speed and parameter of non-linearity B/Ain a ternary mixture. Examples of calculations of mixture consisting of air, water and water vapor
PublicationZostało wyliczone zaburzenie entropii z dokładnością do członów nieliniowych rzędu drugiego. Jedyne założenie ograniczające, toże para wodna i powietrze są gazami doskonałymi. Ostatecznie,parametr nieliniowości i prędkość fali akustycznej przedstawione jako rodzinę krzywych, zależnych od trzech parametrów. Przedstawiono ilustrację tych zależności.
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Ab Initio Study of the Electronic Spectrum of 7-Hydroxyquinoline
PublicationThe electronic spectrum of 7-hydroxyquinoline has been studied by using ab initio Multi-State Multi-Reference Møller-Plesset Second-Order Perturbation Theory (MSMRMP2). The energy range up to 6.5 eV is taken into consideration. The lowest π–π* transition is calculated to have an energy of 3.65 eV in good agreement with experimental data. Several other π–π* transitions are predicted to have excitation energies of 4.93, 5.20, 5.47,...
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Adiabatic potential energy surfaces of the vinoxy radical
PublicationZostały obliczone powierzchnie energetyczne stanu podstawowego i dwóch najniższych stanów wzbudzonych.
Year 2004
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A study of electron impact excitation of molecular oxygen at a scattering angle of 180 st.
PublicationZbadano wzbudzenie tlenu cząsteczkowego w zderzeniu z elektronem dla rozproszenia do tyłu, pod kątem 180 st. Do pomiarów wykorzystano nowe źródło lokalnego pola magnetycznego o geometrii stożkowej.
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Ab initio molecular treatment for charge transfer by S3+ ion on hydrogen.
PublicationPoliczono adiabatyczne potencjały oddziaływania między jonem siarki i wodoru. Dokonano obliczeń nieadiabatycznych sprzężeń pomiędzy tymi potencjałami. Obliczenia wykazały, że należy wziąć pod uwagę niezbadany wcześniej poziom energetyczny jonu siarki aby dokładnie wyjaśnić mechanizm przechwytu ładunku.
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Acoustic streaming caused by modulated sound and wave packets.
PublicationRozpatruje się powstanie pola wirowego na skutek nieliniowej propagacji fali akustycznej w środowiskach z lepkością. Teoria odwołuje się do fal akustycznych nieokresowych, w odróżnieniuod teorii klasycznej. Obliczenia numeryczne na podstawie nowych wzorów są porównywane z wynikami teorii klasycznej.
Year 2017
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A study of the photoelectron spectra of α-tetrahydrofurfuryl alcohol over the outer valence energy region (9–25 eV)
PublicationPhotoelectron spectra of α-tetrahydrofurfuryl alcohol (THFA) molecules, the threshold spectrum and spectra for constant photoelectron energies, have been measured over the photon energy range 9–25 eV. Analysis of the photoelectron spectra has allowed overlapping photoionization bands to be separated, tentatively assigned and their vertical photoionization energies to be determined. These energies are compared with existing theoretical...
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Amplifying the Randomness of Weak Sources Correlated With Devices
PublicationThe problem of device-independent randomness amplification against no-signaling adversaries has so far been studied under the assumption that the weak source of randomness is uncorrelated with the (quantum) devices used in the amplification procedure. In this paper, we relax this assumption, and reconsider the original protocol of Colbeck and Renner using a Santha-Vazirani (SV) source. To do so, we introduce an SV-like condition...
Year 2013
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Acoustic field and the entropy mode induced by it in a waveguide filled with some non-equilibrium gases
PublicationThe non-linear propagation of an acoustic beam in a rectangular waveguide is considered. The medium of sound propagation, is a gas where thermodynamically non-equilibrium processes take place: such as exothermic chemical reactions or excitation of vibrational degrees of a molecule’s freedom. The incident and reflected compounds of the acoustic field do not interact in the leading order in the case of periodic weakly nonlinear sound...
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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublicationThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
Year 2003
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Acoustic radiation force and streaming caused by non periodic acousticsource.
PublicationTeoria i obliczenia numeryczne przepływu rotacyjnego (''streamingu'') towarzyszącemu fali akustycznej w przepływach lepkich nieliniowych. Fala wywołująca może być nieokresowa: impulsowa lub paczka falowa itd. Przykład pojedynczego pulsu rozpatrywany. Ilustracje delikatnej struktury czasowej powstania fal rotacyjnych przedstawione na rysunkach.