bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Domain of the Quantum Matter Wave
Authors: Mills B. 
Published: February 2015

Abstract
In quantum mechanics a particle is represented by a complex wave function. This is similar to the classical description of a distributed particle by a real valued density function. However, while classically the combined density of multiple particles can be decomposed into individual densities; the wave function of a multi-particle system can not always be decomposed into wave functions for the individual particles. Hence the classical assumption that density is a property of physical space, which is only possible because of the special topology of classical configuration space, does not work for quantum systems.
Bell Inequalities with Schrödinger Cats
Authors: Reid M. D. 
Published: February 2015

Abstract
In the Schrödinger cat gedanken experiment a “cat” is in a quantum superposition of two macroscopically distinct states. There is the apparent interpretation that the “cat” is not in one state or the other, “alive” or “dead”. Here this interpretation is proved objectively. I propose the following definition of macroscopic reality: first, that the “cat” is either dead or alive, the measurement revealing which; second, that measurements on other “cats” some distance away cannot induce the macroscopic change, “dead” to “alive” and vice versa, to the “cat”. The predictions of quantum mechanics are shown to be incompatible with this premise.
Twin-beams Statistics for Strong Pumping
Authors: Porzio A. , Sciarrino F. , Chiummo A. , Solimeno S. 
Published: February 2015

Abstract
Twin-beams generated by non degenerate optical parametric oscillators exhibit squeezing in the inten­ sity difference. Here we report intensity noise correlation and single beam spectra for pump power up to 14 times the threshold value. The degree of correlation of the two beams is practically independent of pump level. The single beam spectra confirm presence of relaxation oscillation.
QSES's and the Quantum Jump
Authors: Salgado David , Sánchez-Gómez José Luis 
Published: February 2015

Abstract
The stochastic methods in Hilbert space have been used both from a fundamental and a practical point of view. The result reported here concerns the application of these methods to model the evolution of quantum systems and does not enter into the question of their fundamental or practical status. It can easily be stated as follows: Once a quantum stochastic evolution scheme is assumed, the incompatibility of the Markov property with the notion of quantum jumps is easily established
Theoretical Studies of the g Factors for Co2+ in MgO and CaO Crystals
Authors: Wu Shao-Yi , Zheng Wen-Chen 
Published: February 2015

Abstract
This paper presents a cluster approach to the calculation of the g factors for 3d7 ions in cubic oc­ tahedral crystals, in which the parameters related to the configuration interaction and the covalency reduction effects are obtained from optical spectra of the studied crystals, and so no adjustable parameters are applied. From the approach, the g factors for MgO:Co2+ and CaO:Co2+ are cal­culated. The calculated results show good agreement with the observed values. The experimental values of g 4.333 for CaO:Co2+ are also explained.
Spin-lattice Coupling Coefficient G44 of KMgF3:Mn2+ Calculated from Two Cases
Authors: Wu Shao-Yi , Zheng Wen-Chen 
Published: February 2015

Abstract
The high (fourth) order perturbation formulas based on the dominant spin-orbit coupling mech­anism for the zero-field splittings Dtri of a 6S-state ion in trigonal symmetry and Erho in rhombic symmetry are derived from the strong field scheme. Two analytic expressions of the spin-lattice coupling coefficient G44 obtained from the formulas of and Erho are established by using a simple and uniform method. Based on the two expressions, the coefficients G44 for KMgF3:Mn2+ are calculated in two cases. The results show that the lowest (third) order perturbation formulas of D(3)
tri and E(3)
rho are too simple and too approximate to give reasonable and consistent values of G44, whereas when the fourth-order perturbation terms D(4)
tri and E(4)
rho are considered, the calculated values of G44 (= G(3)
44 + G(4)
44) in both cases are not only close to each other, but also in agreement with the observed value. So, the fourth-order perturbation terms cannot be neglected.
The Elastic Constants of Nematic n-Hexylcyanobiphenyl Determined with the Capacitance Method
Authors: Czechowski G. , Czerkas S. , Jadżyn J. 
Published: February 2015

Abstract
The splay (K 11) and bend (K 33) elastic constants of n-hexylcyanobiphenyl (C6H13-Ph-Ph-C=N) were determined from the voltage (U) dependence of the capacitance (C) of the planar nematic cell with a small molecular pretilt angle. The capacitance changes are due to distortion of the director n driven by the applied electric field. K 11 was obtained from the Freedericksz threshold voltage (Uth) and K 33 from the C(U) dependence above the threshold voltage by means of the method proposed by Gruler et al. and Uchida et al. The significance of the pretilt angle in the determination of K 33 is discussed.
Thermodynamic Measurements on Selected Liquid Crystals at Normal and Elevated Pressures
Authors: Schmalfuss H. , Weissflog W. , Würflinger A. , Masberg S. , Schneider G. M. 
Published: February 2015

Abstract
Densities have been determined for two 5-n-alkyl-2-(4-isothiocyanatophenyl)-1,3-dioxanes (6DBT, 10DBT), 4-n-tetradecyl-4'-cyanobiphenyl (14CB), 4-n-octyl-4'-thiocyanatobiphenyl (8BT) and two laterally aryl-branched mesogens 4-cyanobenzyl 5-(4-n-octyloxybenzoyloxy)-2-undecyloxybenzoate (4CNOUB), 3-cyanobenzyl 2,5-bis(4-n-octyloxybenzoyloxy)benzoate (3CN-BOB). The densities have been measured in the isotropic, nematic (only 3CNBOB) and smectic phases with a vibrating tube densimeter. The densities decrease with increasing alkyl chain length within a homologous series. Furthermore the enthalpy changes accompanying the phase transitions have been determined by DSC.
Estimation of the Enrichment of Cs in Molten Chloride and Fluoride Systems by Molecular Dynamics Simulation
Authors: Matsumiya Masahiko , Takagi Ryuzo 
Published: February 2015

Abstract
For the pyrochemical reprocessing of spent metallic fuels in molten salt baths it is of importance to estimate the enrichment degree of Cs. A molecular dynamics simulation has been executed on molten (Li, Na, Cs)Cl at 900 K and (Li, Na, Cs)F at 925 K for various compositions in order to calculate the relative differences in the internal cation mobilities of Cs in molten LiCl-NaCl equimolar mixtures and the LiF-NaF eutectic. According to these results the self-exchange velocities of Li+, Na+ and Cs+ with respect to Cl- and F- have similar tendencies at each composition, and Cs can be enriched effectively up to xCs = 0.5 -0.6 in LiCl-NaCl melts. In addition, the sequence of the calculated self-diffusion coefficients for various compositions was in a fair agreement with that of the obtained self-exchange velocities.
Nuclear Magnetic Resonance Study of Caesium-133 in Binary Molten Trifluoroacetate Salt Mixtures
Authors: Mirny V. N. , Trachevski V. V. , Mimaya T. A. 
Published: February 2015

Abstract
The chemical shifts of Cs+ in binary melts of caesium trifluoroacetate with lithium, sodium, potassium or thallium trifluoroacetates have been studied as a function of composition. An influence of added foreign cations on chemical shift of caesium nuclei has been found. The nature of the intra-and intermolecular paramagnetic contributions into the shifts of 133Cs is discussed.
Spectral Properties of 3-Benzanthrone Derivative Dyes in Isotropic Solvents, Polymer Film and Liquid Crystal
Authors: Grabchev I. , Moneva I. , Wolarz E. , Bauman D. , Stoyanov S. 
Published: February 2015

Abstract
Some recently synthesized benzanthrone derivatives bearing azomethine and oxy groups at C-3 po­ sition have been systematically studied. The influence of the substituents and of the environment (iso­ tropic and anisotropic media) on the absorption and fluorescence of the dyes and their vibronic transi­ tions is discussed in this paper.
Ab initio Molecular Orbital Calculations of Reduced Partition Function Ratios of Hydrated Lithium Ions in Ion Exchange Systems
Authors: Yanase Satoshi , Oi Takao 
Published: February 2015

Abstract
Molecular orbital (MO) calculations at the HF/6-31G(d) level were carried out for the aquolithium ions, Li+(H2O)n (n = 3, 4, 5, 6, 8, 10 and 12) and the aquolithium ions interacting with the methyl sul­fonate ion (MeS-), Li+MeS-(H2O)n (n = 0, 3,4, 5, 6, 7, 8 and 10) which were, respectively, intended to be substitutes for lithium species in the solution and resin phases of ion exchange systems for lithium isotope separation. For each of the species considered, at least one optimized structure with no negative frequency was obtained, and the 7Li-to-6Li isotopic reduced partition function ratio (RPFR) was esti­mated for the optimized structure. The solvation number in the primary solvation sphere was four, both in the solution and resin phases; three waters and MeS" formed the primary solvation sphere in the res­ in phase. Additional water molecules moved off to the secondary solvation sphere. It was found that consideration on the primary solvation sphere alone was insufficient for estimations of reduced parti­tion function ratios of aquolithium ions. Although the agreement between the experimentally obtained lithium isotope fractionation and the calculated results is not satisfactory, it is pointed out that the HF/6-31 G(d) level of the theory is usable for elucidation of lithium isotope effects in aqueous ion exchange systems.
On Statistics of Graph Energy
Authors: Graovac Ante , Gutman Ivan , John Peter E. , Vidović Dušica , Vlah Ivana 
Published: February 2015

Abstract
The energy EG of a graph G is the sum of the absolute values of the eigenvalues of G. In the case whene G is a molecular graph, EG is closely related to the total π-electron energy of the corresponding conjugated molecule. We determine the average value of the difference between the energy of two graphs, randomly chosen from the set of all graphs with n vertices and m edges. This result provides a criterion for deciding when two (molecular) graphs are almost coeneigetic.
Travelling Wave Solutions for Two Generalized Hirota-Satsuma Coupled KdV Systems
Authors: Fan Engui 
Published: February 2015

Abstract
In this paper we present an extended tanh method that utilizes symbolic computations to obtain more travelling wave solutions for two generalized Hirota-Satsuma coupled KdV systems in a unified way. The key idea of this method is to take full advantage of a Riccati equation involving a parameter and use its solutions to replace the tanh-function by the tanh method. It is quite interesting that the numbers and types of the traveling wave solutions can be judged from the sign of the parameter. In this paper we investigate the two generalized Hirota-Satsuma coupled KdV systems
Investigations of the EPR Parameters and Local Structures for Two Tetragonal Cr3+ Centers in NH4Cl Crystal
Authors: Wu Shao-Yi , Zheng Wen-Chen 
Published: February 2015

Abstract
In this paper, the zero-field splittings D and g factors g||, g⟂ at room temperature for two tetragonal Cr3+ centers in NH4Cl:Cr3+ crystal have been investigated by a two-spin-orbit (S.O)-parameter model, in which both the contribution due to the S.O. coupling of central d3 ion and that of ligands are considered. From the investigations, the signs of zero-field splitting and the local structures of both centers are ob­ tained. The electron paramagnetic resonance parameters D, g|| and g⟂ of both centers are also explained.
Mean Amplitudes of Vibration of Iodine Trifluoride
Authors: Baran E. J. 
Published: February 2015

Abstract
Mean amplitudes of vibration of IF3 have been calculated from vibrational spectroscopic data in the temperature range between 0 and 1000 K. Bond properties of the molecule are dis­ cussed on the basis of these results. Some comparison with relat­ed species are made.
Molecular Dynamics Simulation of Molten Alkali Nitrates
Authors: Vöhringer G. , Richter J. 
Published: February 2015

Abstract
Molecular dynamics (MD) simulations have been performed for several pure alkali nitrate melts. Special attention was paid to the examination of the interaction potential: macroscopic quantities like pressure were calculated and compared with real values. To improve the results the commonly used potential for alkali nitrates (Coulomb pair potential and Born-type repulsion) has been extended by a short-range-attraction term to meet the real behaviour of the liquid. With these improved potentials, simulations of pure LiNO3, NaNO3, KNO3, and RbNO3 have been performed with special regard to the influence of size and mass of the cations on the transport effects to show analogies to isotope effects. The calculated self diffusion coefficients (SDC) have been compared to results obtained with the NMR spin echo method.
Is Relativistic Quantum Mechanics Compatible with Special Relativity?
Authors: Lavenda B. H. 
Published: February 2015

Abstract
The transformation from a time-dependent random walk to quantum mechanics converts a modi­fied Bessel function into an ordinary one together with a phase factor e,ir/2 for each time the electron flips both direction and handedness. Causality requires the argument to be greater than the order of the Bessel function. Assuming equal probabilities for jumps ± 1 , the normalized modified Bessel function of an imaginary argument is the solution of the finite difference differential Schrödinger equation whereas the same function of a real argument satisfies the diffusion equation. In the nonrelativistic limit, the stability condition of the difference scheme contains the mass whereas in the ultrarelativistic limit only the velocity of light appears. Particle waves in the nonrelativistic limit become elastic waves in the ultrarelativistic limit with a phase shift in the frequency and wave number of 7r/2. The ordinary Bessel function satisfies a second order recurrence relation which is a finite difference differential wave equation, using non-nearest neighbors, whose solutions are the chirality components of a free-particle in the zero fermion mass limit. Reintroducing the mass by a phase transformation transforms the wave equation into the Klein-Gordon equation but does not admit a solution in terms of ordinary Bessel functions. However, a sign change of the mass term permits a solution in terms of a modified Bessel function whose recurrence formulas produce all the results of special relativity. The Lorentz transformation maximizes the integral of the modified Bessel function and determines the paths of steepest descent in the classical limit. If the definitions of frequency and wave number in terms of the phase were used in special relativity, the condition that the frame be inertial would equate the superluminal phase velocity with the particle velocity in violation of causality. In order to get surfaces of constant phase to move at the group velocity, an integrating factor is required which determines how the intensity decays in time. The phase correlation between neighboring sites in quantum mechanics is given by the phase factor for the electron to reverse its direction, whereas, in special relativity, it is given by the Doppler shift.
Analytic Solitary-wave Solutions for Modified Korteweg - de Vries Equation with t-dependent Coefficients
Authors: Hong Woo-Pyo , Yoona Myung-Sang 
Published: February 2015

Abstract
We find analytic solitary wave solutions for a modified KdV equation with t-dependent coefficients of the form ut - 6α(t)uux + ß (t) uxxx -6γu2ux = 0. We make use of both the application of the truncated Painleve expansion and symbolic computation to obtain an auto-Bäcklund transformation. We show that kink-type analytic solitary-wave solutions exist under some constraints on α (t), ß (t) and γ.
Ionic Interactions in Actinide Tetrahalides
Authors: Akdeniz Z. , Karaman A. , Tosi M. P. 
Published: February 2015

Abstract
We determine a model of the ionic interactions in AX 4 compounds (where A is an atom in the actinide series from Th to Am and X = F, Cl, Br or I) by an analysis of data on the static and dynamic structure of their molecular monomers. The potential energy function that we adopt is taken from earlier work on rare-earth trihalides [Z. Akdeniz, Z. Q q e k and M. P. Tosi, Z. Naturforsch. 55a, 861 (2000)] and in particular allows for the electronic polarizability of the actinide ion. This polarizability quantitatively determines the antisymmetric-bending vibrational mode, but its magnitude remains compatible with a symmetric tetrahedral shape of the molecule at equilibrium. The fluorides have an especially high degree of ionic character, and the interionic-force parameters for each halide of the U, Np, Pu and Am series show regular trends, suggesting that extrapolations to the other transuranic-element halides may usefully be made. The Th compounds show some deviations from these trends, and the interionic-force model that we determine for ThCl4 differs somewhat from that obtained in a previous study. We therefore return on the evaluation of the relative stability of charged oligomers of ThCl4 and ZrCl4 and find confirmation of our earlier results on this problem.
Structural Study of Liquid Lithium Niobate by Neutron Diffraction Role of the Li Atom in the Clustering Near Solidification
Authors: Andonov P. , Fischer H. E. , Palleau P. , Kimura S. 
Published: February 2015

Abstract
The structure of liquid LiNbO3 has been investigated by neutron diffraction using samples with different isotopic composition of lithium. The intensity scattered by these samples has been measured for momentum transfers 0.4 Å-1 T> 1500 K, which include the undercooling domain. From an analysis of the correlation functions Gij(r) of the atomic pairs Li-Li, Li-Nb, Li-O and their structural evolutions, given by Δ Gi-j (r) = Gi-j(r)1500 -Gi-j(r)1550 made with reference to the crystalline LiNbO3 ferroelectric structure, it was possible to confirm a local ordering similar to that of the crystal. The presence of clusters (groupings of NbO3 octahedra) is confirmed. Both regular and irregular N b06 octahedra are observed in the liquid near solidification. With its high mobil­ity in the melt, the Li atom plays an important role in the clustering: the Li-O and Li-Nb bonds make possible the staking of four octahedra groups into clusters of eight octahedra or more. The Li-Li bonds join these groups. The diameter of the clusters is a least 22 Å in the undercooling regime.
Ground and Excited State Dipole Moments of BADAN and ACRYLODAN Determined from Solvatochromic Shifts of Absorption and Fluorescence Spectra
Authors: Kawski A. , Kukliriski B. , Bojarski P. 
Published: February 2015

Abstract
The electric dipole moments in the ground μg, and excited states μe of the fluorescent probes BADAN (6-bromoacetyl-2-dimethylamino-naphthalene) and ACRYLODAN (6-acrylolyl-2-dimethylamino-naphthalene) are determined from the solvatochromic shifts of their absorption and fluorescence spec­tra for two Onsager interaction radii (a = 4.2 and 4.6 Å). The obtained values of μg and μe for BADAN are comparable to those of PRODAN, while for ACRYLODAN they are distinctly greater.
The Rotational Spectrum of (17O)Ketene
Authors: Guarnieri A. , Huckauf A. 
Published: February 2015

Abstract
The rotational spectrum of H2CC17O in the ground vibrational state has been investigated between 20 and 330 GHz. From 82 R-branch transitions a set of rotational constants and several centrifugal distortion constants could be derived, employing the Watson 5-reduction formalism. The obtained rotational constants in MHz are: A = 282071.6(223), B = 10013.4764(28), C = 9655.9118(24). The nuclear quadrupole coupling structure of the J'Ka'Kc' <- JKaKc = 101 O00 line has been recorded by means of molecular beam Fourier transform microwave spectroscopy allowing the determination of the nuclear quadrupole constant Xaa. = -1.534(54) MHz (without considering the spin-rotation interaction). A recalculation of the rs-structure has also been carried out, using the constants of the new isotopomer. The result agrees with the values reported by East et al. in 1995. This is, to our knowledge, the first reported investigation of the H2CC17O rotational spectrum.
Molecular Dynamics Study on the Adsorption Selectivity for Negative Elements in Aluminosilicates
Authors: Matsumiya Masahiko , Takagi Ryuzo 
Published: February 2015

Abstract
For the pyrochemical reprocessing of spent metallic nuclear fuels in molten salt baths it is important to investigate the adsorption selectivity of cations in aluminosilicates. A molecular dynamics simulation has been performed on sodalite and zeolite with exchangeable monovalent and multivalent cationic fission products at 673 K in order to calculate their self-diffusion coefficients in the aluminosilicate framework and estimate the selectivity of the exchangeable cations. The results enables us to conclude that the self-diffusion coefficients of monovalent cations decrease with increasing ionic radius. The order of the adsorption selectivity is Li < Na < K < Cs in zeolite. The self-diffusion coefficients of multivalent cations are
almost independent of the ionic radius, and these cations are in aluminosilicates more stable than
monovalent cations. The results are consistent with the experimental results.
DTA and Dielectric Studies under Pressure of a Smectogen Substance with a Strong Perpendicular Dipole Moment
Authors: Urban Stanislaw , Wiirflinger Albert 
Published: February 2015

Abstract
The phase diagram of a substance with two CN groups attached to the benzene ring at lateral posi­ tions (CNCN) has been obtained with differential thermal analysis (DTA). The pressure range of the smectic A phase is limited, resulting in a triple point (Cr, SA, L) at 135 MPa and 371 K. However, the SA-phase exists also above the triple point as a metastable phase. The transverse relaxation times τ⟂ were obtained from the dielectric spectra measured for several isotherms as a function of pressure with­ in the SA-phase of CNCN. The activation volume, Δ#V⟂ = RT (∂ In τ⟂/∂p)T, = (52 ± 3) cm3/mol is larg­er than Δ#V|| , recently derived from the pressure dependence of the longitudinal relaxation times for other substances in the SA-phase. It is concluded that due to steric hindrances made by the cyano groups the molecular rotations around the long axes become strongly slowed down by pressure and the smec­ tic phase disappears
Vibration Frequencies and Normal Coordinates of 3Radialene
Authors: Kubba Rehab M. 
Published: February 2015

Abstract
SCF-MO calculations of the vibration frequencies and IR absorption intensities of 3radialene are re­ ported. Complete normal coordinate analysis for the molecule was done. The C=C str. frequencies of 3radialene are found to be intermediate between the values for ethylene and acetylene. The results are explained in terms of a modified Förster-Walsh model for the 3ring in which the central carbon atoms show sp hybridization.
Effect of Low-Frequency Modulation on Thermal Convection Instability
Authors: Bhatia P. K. , Bhadauria B. S. 
Published: February 2015

Abstract
The stability of a horizontal layer of fluid heated from below is examined when, in addition to a steady temperature difference between the horizontal walls of the layer a time-dependent low-frequency per­ turbation is applied to the wall temperatures. An asymptotic solution is obtained which describes the be­ haviour of infinitesimal disturbances to this configuration. Possible stability criteria are analyzed and the results are compared with the known experimental as well as numerical results.