Bound State Description of Particles from a Quantum Field Theory of Fermions and Bosons, Compatible with Relativity

Both, the dilemma to find a quantum field theory consistent with Einstein’s law of relativity and the problem to describe existing particles as bound states of matter has been solved by calculating bound state matrix elements from a dual fermion-boson Lagrangian. In this formalism, the fermion binding energies are compensated by boson energies, indicating that particles can be generated out of the vacuum. This yields quantitative solutions for various mesons ω (0.78 GeV) - Υ (9.46 GeV) and all leptons e, μ and τ, with uncertainties in the extracted properties of less than 1‰. For transparency, a Web-page with the address htpps://h2909473.stratoserver.net has been constructed, where all calculations can be run on line and also the underlying fortran source code can be inspected.

Infinitely Many Solutions and a Ground-State Solution for Klein-Gordon Equation Coupled with Born-Infeld Theory

In this paper, we intend to consider a kind of nonlinear Klein-Gordon equation coupled with Born-Infeld theory. By using critical point theory and the method of Nehari manifold, we obtain two existing results of infinitely many high-energy radial solutions and a ground-state solution for this kind of system, which improve and generalize some related results in the literature.

Rigidity Symmetry Line for Thermodynamic Fluid Equations-of-State

We report progress towards a modern scientific description of thermodynamic properties of fluids following the discovery (in 2012) of a coexisting critical density hiatus and a supercritical mesophase defined by percolation transitions. The state functions density ρ(p,T), and Gibbs energy G(p,T), of fluids, e.g. CO2, H2O and argon exhibit a symmetry characterised by the rigidity, ω = (dp/dρ)T, between gaseous and liquid states along any isotherm from critical (Tc) to Boyle (TB) temperatures, on either side of the supercritical mesophase. Here, using experimental data for fluid argon, we investigate the low-density cluster physics description of an ideal dilute gas that obeys Dalton’s partial pressure law. Cluster expansions in powers of density relate to a supercritical liquid-phase rigidity symmetry (RS) line (ω = ρrs(T) = RT) to gas phase virial coefficients. We show that it is continuous in all derivatives, linear within stable fluid phase, and relates analytically to the Boyle-work line (BW) (w = (p/ρ)T = RT), and to percolation lines of gas (PB) and liquid (PA) phases by: ρBW(T) = 2ρPA(T) = 3ρPB(T) = 3ρRS(T)/2 for T TB. These simple relationships arise, because the higher virial coefficients (bn, n ≥ 4) cancel due to clustering equilibria, or become negligible at all temperatures (0 T TB) within the gas phase. The Boyle-work line (p/ρBW)T is related exactly at lower densities as T → TB, and accurately for liquid densities, by ρBW(T) = −(b2/b3)T. The RS line, ω(T) = RT, defines a new liquid-density ground-state physical constant (ρRS(0) = (2/3)ρBW(0) for argon). Given the gas-liquid rigidity symmetry, the entire thermodynamic state functions below TB are obtainable from b2(T). A BW-line ground-state crystal density ρBW(0) can be defined by the pair potential minimum. The Ar2 pair potential, ∅ij(rij) determines b2(T) analytically for all T. This report, therefore, advances the salient objective of liquid-state theory: an argon p(ρ,T) Equation-of-state is obtained from ∅ij(rij) for all fluid states, without any adjustable parameters.

Derivation of Martin-Hou Equation of State from Hard-particle Perturbation Theory

In this paper, the Martin-Hou equation of state is derived by using a power series representation of radial distribution function and an analytic representation of multi-section potential based on the Barker-Henderson hard-particle perturbation theory including high-order terms. In the derivation, a theoretical form of Martin-Hou equation was obtained. It had a similar form and the same capability to predict P-V-T properties as the Martin-Hou equation and no additional data were required for evaluating the constants. The characteristic constants of the theoretical expression have certain relationships with the molecular parameters.

Predicting of Power Quality Steady State Index Based on Chaotic Theory Using Least Squares Support Vector Machine

An effective power quality prediction for regional power grid can provide valuable references and contribute to the discovering and solving of power quality problems. So a predicting model for power quality steady state index based on chaotic theory and least squares support vector machine (LSSVM) is proposed in this paper. At first, the phase space reconstruction of original power quality data is performed to form a new data space containing the attractor. The new data space is used as training samples for the LSSVM. Then in order to predict power quality steady state index accurately, the particle swarm algorithm is adopted to optimize parameters of the LSSVM model. According to the simulation results based on power quality data measured in a certain distribution network, the model applies to several indexes with higher forecasting accuracy and strong practicability.

Calculation of Viscosities of Liquid Mixtures Using Eyring's Theory in Combination with Cubic Equations of State

Cubic equations of state (EOS) have been combined with the absolute rate theory of Eyring to calculate viscosities of liquid mixtures. A modified Huron-Vidal gE-mixing rule is employed in the calculation and in comparison with the van Laar and the Redlich-Kister-type mixing rule. The EOS method gives an accurate correlation of liquid viscosities with an overall average deviation less than 1% for 67 binary systems including aqueous solutions. It is also successful in extrapolating viscosity data over a certain temperature range using parameters obtained from the isotherm at a given temperature and in predicting viscosities of ternary solutions from binary parameters for either polar or associated systems.

Thermal Analysis of Organic Light Emitting Diodes Based on Basic Heat Transfer Theory

We investigate the thermal characteristics of standard organic light-emitting diodes （OLEDs） using a simple and clear 1D thermal model based on the basic heat transfer theory. The thermal model can accurately estimate the device temperature, which is linearly with electrical input power. The simulation results show that there is almost no temperature gradient within the OLED device working under steady state conditions. Furthermore, thermal analysis simulation results show that the surface properties （convective heat transfer coetficient and surface emissivity） of the substrate or cathode can significantly affect the temperature distribution of the OLED.

Variational Calculation of the Doubly-Excited States Nsnp of He-Like Ions via the Modified Atomic Orbitals Theory

In this paper, we have declined the formalism of the method of the Modified Atomic Orbital Theory (MAOT) applied to the calculations of energies of doubly excited states 2snp, 3snp, and 4snp Helium-like systems. Then we also applied the variational procedure of the Modified Atomic Orbital Theory to the computations of total energies, excitation energies of doubly-excited states 2snp, 3snp, 4snp types of Helium-like systems. The results obtained in this work are in good agreement with the experimental and theoretical values available.

Calculation of Viscosities of Liquid Mixtures Using Eyring’s Theory in Combination with Cubic Equations of State

Cubic equations of state EOS have been combined with the absolute rate theory of Eyring to calculate viscosities of liquid mixtures. A modified Huron-Vidal gE-mixing rule is employed in the calculation and in com- parison with the van Laar and the Redlich-Kister-type mixing rule. The EOS method gives an accurate correlation of liquid viscosities with an overall average deviation less than 1% for 67 binary systems including aqueous solu- tions. It is also successful in extrapolating viscosity data over a certain temperature range using parameters obtained from the isotherm at a given temperature and in predicting viscosities of ternary solutions from binary parameters for either polar or associated systems.

Energy level analyses of even-parity J=1 and 2 Rydberg states of Sn I by multichannel quantum defect theory

This paper analyzes the energy levels along the even-parity J = 1 and 2 Rydberg series of Sn I by multichannel quantum defect theory. A good agreement between theoretical and experimental energy levels was achieved. Below 59198 cm^-1, a total of 85 and 23 new energy levels, respectively, in the J = 1 and J = 2 series, which cannot be measured previously by experiments, are predicted in this work. Based on the calculated admixture coefficients of each channel, interchannel interactions were discussed in detail. The results are helpful to understand the characteristics of configuration interaction among even-parity levels in Sn I.

Valence band structure and density of states effective mass model of biaxial tensile strained silicon based on k·p theory

After constructing a stress and strain model, the valence bands of in-plane biaxial tensile strained Si is calculated by k·p method. In the paper we calculate the accurate anisotropy valance bands and the splitting energy between light and heavy hole bands. The results show that the valance bands are highly distorted, and the anisotropy is more obvious. To obtain the density of states （DOS） effective mass, which is a very important parameter for device modeling, a DOS effective mass model of biaxial tensile strained Si is constructed based on the valance band calculation. This model can be directly used in the device model of metal-oxide semiconductor field effect transistor （MOSFET）. It also a provides valuable reference for biaxial tensile strained silicon MOSFET design.

Theory,Method and Application of a State Recognition Based on Theory of Evidence

A new method of state recognition based on the theory of evidence was proposed. By this method, the plausible function which the sample awaiting recognition belongs to each category can be obtained through distance function. For the marginal samples,two or a batch of evidences can be combined and a new plausible function can be obtained by new evidence. Then the categories of samples can be determined according to plausibility function. This method provides a beder reasoning framework. The result proves the rate of recoghition correctness.

Molecular Application of a State Specific Multi-Reference Brillouin-Wigner Perturbation Theory

The single reference second order Brillouin-Wigner perturbation theory recently developed, which eliminates its size-extensivity error, has been generalized to state-specific, multi-reference （SS-MR）, BWPT2 providing a size-extensive correction to the electron correlation problem for systems that demand the use of a multi-reference function. Illustrative numerical tests of the size-extensivity corrections are made for widely used molecules in their ground states, which are pronounced multi-reference characteristics. We have implemented two-reference and three-reference cases for CH2, BH and bond breaking process in the ground states of HF molecules. The results are compared with the rigorously size-extensive methods such as the M^ller-Plesset perturbation theory, i.e., MP2, full configuration interaction （Full-CI） and allied methods using the same basis sets.

Reconstructing Equation of State for Dark Energy in Double Complex Symmetric Gravitational Theory

We propose to study the accelerating expansion of the universe in the double complex symmetric gravitational theory （DCSGT）. The universe we live in is taken as the real part of the whole spacetime MC^4（J）, which is double complex. By introducing the spatially flat FRW metric, not only the double Friedmann equations but also the two constraint conditions py = 0 and J^2 = 1 are obtained. Farthermore, using parametric DL（z） ansatz, we reconstruct the ω/（z） and V（Ф） for dark energy from real observational data. We find that in the two cases of J = i, pJ = 0, and J = ε, pJ≠0, the corresponding equations of state ω＇（z） remain close to -1 at present （z = 0） and change from below -1 to above -1. The results illustrate that the whole spacetime, i.e. the double complex spacetime MC^4（J）, may be either ordinary complex （J = i, pJ = 0） or hyperbolic complex （J = ε, pJ≠ 0）. And the fate of the universe would be Big Rip in the future.

Bianchi Type-V Cosmological Model with Linear Equation of State in Brans-Dicke Theory of Gravitation

A Bianchi type-V space time is considered with linear equation of state in the scalar tensor theory of gravitation proposed by Brans and Dicke. We use the assumption of constant deceleration parameter and power law relation between scalar field øand scale factor R to find the solutions. Some physical and kinematical properties of the model are also discussed.

Circular Scale of Time and Energy of a Quantum State Calculated from the Schrodinger Perturbation Theory

The main facts about the scale of time considered as a plot of a sequence of events are submitted both to a review and a more detailed calculation. Classical progressive character of the time variable, present in the everyday life and in the modern science, too, is compared with a circular-like kind of advancement of time. This second kind of the time behaviour can be found suitable when a perturbation process of a quantum-mechanical system is examined. In fact the paper demonstrates that the complicated high-order Schrodinger perturbation energy of a non-degenerate quantum state becomes easy to approach of the basis of a circular scale. For example for the perturbation order N = 20 instead of 19! ≈ 1.216 × 1017 Feynman diagrams, the contribution of which should be derived and calculated, only less than 218 ≈ 2.621 × 105 terms belonging to N = 20 should be taken into account to the same purpose.

Density Functional Theory Calculations of Charge-Induced Spin Polarization in Pentacene

Based on density functional theory （DFT） calculations, we investigate the spin-related properties of spinless-hole injected organic molecule pentacene （Pc）. DFT calculations reveal that there is spontaneous spin polarization in Pc when spinless-hole is injected. The chargeinduced magnetic moment of Pc increases linearly with the increasing of the extra hole charge amount and its maximum can be up to 1 μB per injected spinless-hole per Pc molecule. The magnetic moment is expected due to the injected unpaired charge. The injected hole will preferably ll the spin-splitted carbon pz orbitals, which makes the Pc molecule spin polarize.

Experimental and Theoretical Investigation on Excited State Intramolecular Proton Transfer Coupled Charge Transfer Reaction of Baicalein

The excited state intramolecular proton transfer （ESIPT） coupled charge transfer of baicalein has been investigated using steady-state spectroscopic experiment and quantum chemistry calculations. The absence of the absorption peak from S1 excited state both in the experi-mental and calculated absorption spectra indicates that S1 is a dark state. The dark excited state S1 results in the very weak fluorescence of solid baicalein in the experiment. The fron- tier molecular orbital and the charge difference densities of baicalein show clearly that the S1 state is a charge-transfer state whereas the S2 state is a locally excited state. The only one stationary point on the potential energy profile of excited state suggests that the ESIPT reaction of baicalein is a barrierless process.

Strangeness to increase the density of finite nuclear systems in constraining the high-density nuclear equation of state

As the high-density nuclear equation of state(EOS) is not very well constrained, we suggest that the structural properties from the finite systems can be used to extract a more accurate constraint. By including the strangeness degrees of freedom, the hyperon or anti-kaon, the finite systems can then have a rather high-density core which is relevant to the nuclear EOS at high densities directly. It is found that the density dependence of the symmetry energy is sensitive to the properties of multi-K hypernuclei, while the high-density EOS of symmetric matter correlates sensitively to the properties of kaonic nuclei.

Resonance Raman Spectroscopic and Theoretical Study of Geometry Distortion of Thiourea in 2^1A State

The A-band resonance Raman spectra of thiourea were obtained in water and acetonitrile solution. B3LYP/6-311＋＋G（3df,3pd） and RCIS/6-311＋＋G（3df,3pd） calculations were done to elucidate the ultraviolet electronic transitions, the distorted geometry structure and the saddle point of thiourea in 21A excited state, respectively. The resonance Raman spectra were assigned. The absorption spectrum and resonance Raman intensities were modeled using Heller＇s time-dependent wavepacket approach to resonance Raman scattering. The results indicate that largest change in the displacement takes place with the C--S stretch mode u6 （｜△｜=0.95） and noticeable changes appear in the H5N3H6＋H8N4H7 wag v5 （｜△｜=0.19）, NCN symmetric stretch^-C--S stretch＋N3H6＋H8N4 wag v4 （｜△｜=0.18）, while the moderate intensities of 2-15 and 4-15 are mostly due to the large excited state frequency changes of v15, but not due to its significant change in the normal mode displacement. The mechanism of the appearance of even overtones of the S-CN2 out of plane deformation is explored. The results indicate that a Franck-Condon region saddle point is the driving force for the quadric phonon mechanism within the standard A-term of resonance Raman scattering, which leads to the pyramidalization of the carbon center and the geometry distortion of thiourea molecule in 21A excited state.