Nonsensitive Homotopy-Pade Approach： Anharmonic Oscillators

In order to investigate a complicated physical system, it is convenient to consider a simple, easy to solve model, which is chosen to reflect as much physics as possible of the original system, as an ideal approximation. Motivated by this fundamental idea, we propose a novel asymptotic method, the nonsensitive homotopy-Pade approach. In this method, homotopy relations are constructed to link the original system with an ideal, solvable model. An artificial homotopy parameter is introduced to the homotopy relations as the normal perturbation parameter to generate the perturbation series, and is used to implement the Padd approximation. Meanwhile, some other auxiliary nonperturbative parameters, which are used to control the convergence of the perturbation series, are inserted to the approximants, and are fixed via the principle of minimal sensitivity. The method is used to study the eigenvalue problem of the quantum anharmonic oscillators. Highly accurate numerical results show its validity. Possible further studies on this method are also briefly discussed.     

A New Quasi-Exactly Solvable Problem and Its Connection with an Anharmonic Oscillator

The two-dimensional hydrogen with a linear potential in a magnetic field is solved by two different methods. Furthermore the connection between the model and an anharmonic oscillator is investigated by methods of KS transformation.     

Splitting of Spectra in Anharmonic Oscillators Described by Kratzer Potential Function

A perturbation theory model that describes splitting of the spectra in highly symmetrical molecular species in electrostatic field is proposed. An anahrmonic model of a two-dimensional oscillator having Kratzer potential energy functionis used to model the molecular species and to represent the unperturbed system. A selection rule for the radial quantum number of the oscillator is derived. The eigenfunctions of a two-dimensional anharmonic oscillator in cylindrical coordinates are used for the matrix elements representing the probability for energy transitions in dipole approximation to be calculated. Several forms of perturbation operators are proposed to model the interactionbetween the polyatomic molecular species and an electrostatic field. It is found that the degeneracy is removed in the presence of the electric field and spectral splitting occurs. Anharmonic approximation for the unperturbed system is more accurate and reliable representation of a real polyatomic molecular species.     

Turing pattern selection in a reaction-diffusion epidemic model

We present Turing pattern selection in a reaction-diffusion epidemic model under zero-flux boundary conditions.The value of this study is twofold.First,it establishes the amplitude equations for the excited modes,which determines the stability of amplitudes towards uniform and inhomogeneous perturbations.Second,it illustrates all five categories of Turing patterns close to the onset of Turing bifurcation via numerical simulations which indicates that the model dynamics exhibits complex pattern replication:on increasing the control parameter ν,the sequence "H 0 hexagons → H 0-hexagon-stripe mixtures → stripes → H π-hexagon-stripe mixtures → H π hexagons" is observed.This may enrich the pattern dynamics in a diffusive epidemic model.     

Numerical experiment of anharmonic oscillators by using the symplectic scheme-shooting method

Symplectic scheme-shooting method (SSSM) is applied to solve the energy eigenvalues of anharmonic oscillators characterized by the potentials V(x)=λx4 and V(x)=(1/2)x2+λx2α with α=2,3,4 and doubly anharmonic oscillators characterized by the potentials V(x)=(1/2)x2+λ1x4+λ2x6, and a high order symplectic scheme tailored to the "time"-dependent Hamiltonian function is presented. The numerical results illustrate that the energy eigenvalues of anharmonic oscillators with the symplectic scheme-shooting method are in good agreement with the numerical accurate ones obtained from the non-perturbative method by using an appropriately scaled basis for the expansion of each eigenfunction; and the energy eigenvalues of doubly anharmonic oscillators with the sympolectic scheme-shooting method are in good agreement with the exact ones and are better than the results obtained from the four-term asymptotic series. Therefore, the symplectic scheme-shooting method, which is very simple and is easy to grasp, is a good numerical algorithm.     

Critical evaluation of anharmonic corrections to the equilibrium isotope effect for methyl cation transfer from vacuum to dielectric continuum

Harmonic and anharmonic vibrational frequencies are computed for isotopologues of methyl cation in vacuum and in a polarised continuum model (PCM) dielectric continuum (? = 80) within Gaussian09. Comparison of results in vacuum for two methods (B3LYP and second-order Møller–Plesset perturbation theory) and three basis sets (6-31+G(d), cc-aug-PVDZ, cc-aug-PVQZ) with published anharmonic frequencies obtained from an accurate vibrational configuration interaction (VCI) method shows the smallest root mean square error in the frequencies from B3LYP/6-31+G(d) with anharmonic corrections. Using this method to calculate isotopic partition function ratios (IPFRs) for all six pairs of CH₃⁺, CH₂D⁺, CHD₂⁺ and CD₃⁺ gives better results for anharmonic frequencies than for unscaled harmonic frequencies, but scaled harmonic frequencies give even better results for less cost. The scaling factor is simply the ratio of the sum of the anharmonic VCI frequencies to the sum of the harmonic B3LYP/6-31+G(d) frequencies, which corresponds to the dominance of zero-point energy changes in determining the IPFRs. Both the scaled and unscaled harmonic frequencies provide reasonable estimates for the equilibrium isotope effects (EIEs) upon transfer of methyl cation from vacuum to PCM ‘water’, but the anharmonic PCM calculations give erratic results. The use of scaled B3LYP/6-31+G(d) harmonic frequencies is recommended for the estimations of EIEs rather than expensive anharmonic corrections.     

Calculation of anharmonic effects in the unimolecular dissociation of M2+(H2O)2 (M = Be,Mg, and Ca)

The anharmonic and harmonic rate constants of the unimolecular dissociation of M²⁺(H₂O)₂ (M = Be, Mg, and Ca) were calculated using the Rice–Ramsperger–Kassel–Marcus theory. The anharmonic effects of the reactions were investigated. The results show that the energy barrier of the dissociation of Be²⁺(H₂O)₂ is 68.47 kcal/mol, and the anharmonic (T_4000K = 4.28×10⁸ s^?1) and harmonic (T_4000K = 4.22×10⁸ s^?1) rate constants were close in value in both the canonical and microcanonical systems. The energy barriers of the two steps for the dissociation, Mg²⁺(H₂O)₂ → MgOH⁺+H₃O⁺, were 37.41 and 11.39 kcal/mol, and those for the dissociation, Ca²⁺(H₂O)₂ → CaOH⁺+H₃O⁺, were 21.15 and 26.42 kcal/mol. The anharmonic effect of the two reactions is significant and cannot be neglected in both the canonical and microcanonical systems. The comparison also shows that the rate constants of the dissociation of Ca²⁺(H₂O)₂ have the maximum values, while those of Be²⁺(H₂O)₂ have the minimum values in the three reactions; however, the anharmonic effect also shows the similar trend in the comparison.     

Lie Algebraic Approach to Energy Transfer for Collinear Collision of Two Anharmonic Diatomic Molecules

An anharmonic oscillator algebra model is used to study the collinear collisions of two diatomic molecules. The transition probability for vibration-vibration energy transfer is presented. For an application of the method, we talk about the collision of N2＋CO, N2＋O2, and N2＋N2. Through long time averaging, the transition probability changes to the function of total energy of the system. Comparing the results with the quantum results, we can see that the dynamical Lie algebraic method is useful for describing the anharmonie diatomic molecular collision.     

Solution of the Dirac Equation for Ring-Shaped Modified Kratzer Potential

We propose a new exactly solvable potential which is Formed by modified Kratzer potential plus a new ring-shaped potential η cot^2 θ/r^2 The solutions of the Dirac equation with equal scalar and vector ring-shaped modified Kratzer potential are found by using the Nikiforov-Uvarov method. The nonrelativistic limit of the energy spectrum has been discussed.     

Exact solutions of spin-one DKP equation under Kratzer potential in (1 + 2) dimensions

We study the relativistic spin-one Duffin-Kemmer-Petiau equation in the presence of Kratzer potential in (1 + 2)-dimensional Minkowski space-time. To obtain the energy eigenvalues and the corresponding eigenfunctions, the analytical Nikiforov-Uvarov method is used.     

Temperature dependence of liquid volume

It is shown that the temperature dependence of the liquid volume is well described by the equation $ V = A + BT + CT^2 + V_e \exp ( - E/RT), $ V = A + BT + CT^2 + V_e \exp ( - E/RT), where A, B, C, V _e , and E are constants. This equation reflects two processes owing to which the liquid volume increases with temperature, namely, anharmonic oscillations of molecules and formation of “holes.”     

非谐振子势的精确解和双波函数描述

求解了非谐振子势V(x)=x²/2+g/2x²的本征方程，给出了精确的能谱方程和归一化波函数.应用双波函数理论，得到了在非谐振子势场中单粒子运动状态的力学量的时间演化方程. 关键词：     

First-Principles Calculations of Atomic and Electronic Properties of T1 and In on Si（111）

The atomic and electronic structures of T1 and In on Si（111） surfaces are investigated using the firstprinciples total energy calculations. Total energy optimizations show that the energetically favored structure is 1/3 ML T1 adsorbed at the T4 sites on Si（111） surfaces. The adsorption energy difference of one T1 adatom between （√3 × √3） and （1 × 1） is less than that of each In adatom. The DOS indicates that TI 6p and Si 3p electrons play a very important role in the formation of the surface states. It is concluded that the bonding of TI adatoms on Si（111） surfaces is mainly polar covalent, which is weaker than that of In on Si（111）. So T1 atom is more easy to be migrated than In atom in the same external electric field and the structures of T1 on Si（111） is prone to switch between （√3 × √3） and （1 × 1）.     

Study on the pre-chopper in CSNS LEBT

Physical designing of the pre-chopper in CSNS LEBT is carried out, which includes the deflecting voltage, the length and the width of the deflecting plates, and the gap between the deflecting plates. The most outstanding feature of the design is that both the gap and the width vary with the beam envelope size. So both the requried deflecting voltage and the loaded capacitance are lowered. In order to avoid destruction of the space charge neutralization by the pre-chopper in the whole LEBT, an electron-trapping electrode is arranged to confine the electrostatic field of the pre-chopper to the local area. To examine the reliability of the pre-chopping design in CSNS LEBT, a similar pre-chopping design in ADS RFQ LEBT is set up and an experiment on the pre-chopper is prepared. 3-dimensional simulations are carried out to determine the loaded capacitance and the applied voltage of the electron-trapping electrode.     

具有Kratzer势的N维Schr(o)dinger方程的束缚态精确解

精确地求解了具有Ｋｒａｔｚｅｒ势的Ｎ（Ｎ≥２）维束缚态Ｓｃｈｒｏｄｉｎｇｅｒ方程,给出了具有Ｋｒａｔｚｅｒ势的Ｎ维双原子分子的能级及相应的归一化径化向波函数。     

Metric of States

Metric of quantum states plays an important role in quantum information theory. In this letter, we find the deep connection between quantum logic theory and quantum information theory. Using the method of quantum logic, we can get a famous inequality in quantum information theory, and we answer a question raised by S. Gudder.     

Synchronization in a Mutualism Ecosystem Induced by Noise Correlation

Understanding the cause of the synchronization of population evolution is an important issue for ecological improvement. Here we present a Lotka-Volterra-type model driven by two correlated environmental noises and show, via theoretical analysis and direct simulation, that noise correlation can induce a synchronization of the mutualists. The time series of mutual species exhibit a chaotic-like fluctuation, which is independent of the noise correlation, however, the chaotic fluctuation of mutual species ratio decreases with the noise correlation. A quantitative parameter defined for characterizing chaotic fluctuation provides a good approach to measure when the complete synchronization happens.     

Remarks on interpretations of the Eotvos experiment and misinterpretation of E=mc^2

The Eotvos experiment on the verification of equivalence between inertial mass and gravitational mass of a body is famous for its accuracy. A question is, however, can these experimental results be applied to the case of a physical space in general relativity, where the space coordinates could be arbitrary？ It is pointed out that it can be validly applied because it has been proven that Einstein＇s equivalence principle for a physical space must have a frame of reference with the Euclidean-like structure. Will claimed further that such an overall accuracy can be translated into an accuracy of the equivalence between inertial mass and each type of energy. It is shown that, according to general relativity, such a claim is incorrect. The root of this problem is due to an inadequate understanding of special relativity that produced the famous equation E=mc^2, which must be understood in terms of energy conservation. Concurrently, it is pointed out that this error is a problem in Will＇s book, ‘Theory and Experiment in Gravitational Physics＇.     

D^0D^0 mixing and other recent charm results from BABAR

Studies in which BABAR data have shown evidence for mixing in the neutral charm meson system are presented. A new measurement of the lifetime difference parameter ycp = （1.16±0.22±0.18）% is described. Results are also presented from a systematic study of DK and D＊K invariant mass distributions from a 470 fb^-1 sample of asymmetric e^＋e^- interactions recorded by the BABAR detector at the PEP-Ⅱ storage rings. A new charmed-strange meson has been observed with mass [3044 ± 8stat （-5^＋30 ）syst] MeV/c^2 and width [239± 35stat （-42^＋46）syst]MeV/c^2.