Embedding of Dynamical Symmetry Groups U(1, 1) and U(2) of a Free Particle on AdS 2 and S 2 into Parasupersymmetry Algebra

Using two different types of the laddering equations realized simultaneously by the associated Gegenbauer functions, we show that all quantum states corresponding to the motion of a free particle on AdS ₂ and S ² are splitted into infinite direct sums of infinite-and finite-dimensional Hilbert subspaces which represent Lie algebras u(1, 1) and u(2) with infinite- and finite-fold degeneracies, respectively. In addition, it is shown that the representation bases of Lie algebras with rank 1, i.e., gl(2, C), realize the representation of nonunitary parasupersymmetry algebra of arbitrary order. The realization of the representation of parasupersymmetry algebra by the Hilbert subspaces which describe the motion of a free particle on AdS ₂ and S ² with the dynamical symmetry groups U(1, 1) and U(2) are concluded as well.     

Dynamical and symmetry groups of the SU(2) Kepler problem

It is well known that the MIC–Kepler problem, an extension of the three-dimensional Kepler problems, admits the same dynamical and symmetry groups as the Kepler problem. This paper aims to study dynamical and symmetry groups of the SU(2) Kepler problem, where the SU(2) Kepler problem is defined to be the dynamical system reduced from the eight-dimensional conformal Kepler problem through an SU(2) symmetry and turns out to be an extension of the five-dimensional Kepler problem. It is shown that the SU(2) Kepler problem admits a dynamical group SO^*(8) and that the phase space of the SU(2) Kepler problem is symplectomorphic with a co-adjoint orbit of SO^*(8), on which the Kirillov–Kostant–Souriau form is defined. It is further shown that the subgroups, SU(4), SU^*(4), and Sp(2)×_SR⁵, of SO^*(8) provide the symmetry groups, SU(4)/Z₂SO(6), SU^*(4)/Z₂SO₀(1,5), and (Sp(2)×_SR⁵)/Z₂SO(5)×_SR⁵, of the SU(2) Kepler problem with negative, positive, and zero energies, respectively, where ×_S denotes a semi-direct product. Furthermore, constants of motion for the SU(2) Kepler problem are found together with their Poisson brackets. The symmetry Lie algebra formed by constants of motion is shown to be isomorphic with so(6)su(4), so(1,5)su^*(4), or so(5)_SR⁵sp(2)_SR⁵, depending on whether the energy is negative, positive, or zero, where _S denotes a semi-direct sum. These Lie algebras are subalgebras of so^*(8)so(2,6).     

On the ground state energy of a two-dimensional electron fluid

A new theory of the ground state energy of a two-dimensional electron fluid is presented. It is shown that the ring diagram contribution changes its analytical behavior atr _s =2^1/2, wherer _s is the usual density parameter defined by r_S = 1/a ₀( n)^1/2,a ₀ being the Bohr radius andn is the electron density. For smallr _s , a high density series is obtained in agreement with the previous calculation. For larger _s , a hitherto unknown low density series is obtained. In the low density region, the first order exchange energy is completely cancelled out by a term from the ring contribution so that the ground state energy decreases in proportion tor _s ^–2/3 , followed byr _s ^/–4/3 and higher order terms. The energy is found to be minimum atr _s=1.4757, the minimum value being –0.481915 Rydbergs.     

Binding Energy of Nuclear Matter with Pure Hard Core Interaction

The calculation of ground state energy of nuclear matter with neutron excess, which has been done up to the second order in (k_fr_c) (where k_f is the Fermi momentum and r_c is the hard core radius), is extended here to include the third order term. By applying Brueckner theory in the low density limit we calculate this term and then we expand the energy in terms of α (α = (N-Z)/A) up to the fourth order to get the volume and symmetry terms of the Weizsäcker semiemperical mass formula. We also calculate the volume and symmetry parts of the compressibility up to (k_fr_c)³.     

TiO基态 (X 3 Δr) 的势能函数与光谱常数

应用群论及原子分子反应静力学方法推导了TiO分子基态(X³Δ_r)的离解极限.采用不同的计算方法,包括密度泛函B3LYP,B3P86,BP86,B3PW91和MP2,MP4方法,结合不同基组计算了TiO分子基态的平衡核间距、能量和振动频率.研究表明,使用B3LYP方法,对O原子使用6-311+G基组,Ti原子使用6-311+ +G^**基组时计算得到的平衡几何结构、分子离解能和谐振频率与实验值符合得最好.使用优选出的方法和基组对T 关键词： TiO 势能函数 光谱常数 密度泛函理论     

A nonperturbative stability theory of quantum field theory models

A nonperturbative method of analysis of the stability problem of quantum field theory models is proposed. The method consists in the systematic analysis of the functional dependence on boson field B of the effective boson Lagrangian S^eff(B) consisting of the fermion term S_l^F(B), constraint term S_l^FP(B) and the boson self-interaction term S_l(B). A new heat kernel representation for S_l^F(B) is derived in which counterterms are calculated in the explicit functional form by means of the analytic renormalization method. Using these results the instabillity of Yukawa₄, four-Fermi₄, and the massive Gürsey models is demonstrated.     

The Flavor Physics in Unified Gauge Theory from an S3 × P Discrete Symmetry

We investigate the phenomenological implication of the discrete symmetry S₃ × P on flavor physics in SO(10) unified theory. We construct a minimal renormalizable model which reproduce all the masses and mixing angle of both quarks and leptons. As usually the SO(10) symmetry gives up to relations between the down sector and the charged lepton masses. The underlining discrete symmetry gives a contribution (from the charged lepton sector) to the PMNS mixing matrix which is bimaximal. This gives a strong correlation between the down quark and charged lepton masses, and the lepton mixing angles. We obtain that the small entries V _ub, V _cb, V _td, and V _ts in the CKM matrix are related to the small value of the ratio δ m² _solΔ m² _atm: they come from both the S₃×P structure of our model and the small ratio of the other quark masses with respect to m _t. Wonderfully, with our model, we fit 17 experimental data %with only 13 free relevant combinations of vevs.     

Heterodyne coincidence spectroscopy

A new type of light-scattering experiment, which should measure directly the triple static structure factor S ⁽³⁾ (k, q) of a fluid, is proposed. S ⁽³⁾(k, q) is the full spatial Fourier transform of the equilibrium triplet distribution function g ⁽³⁾(r ₁, r ₂, r ₃). The experiment may also be used to study dynamic correlation functions of the form <a_k (t)a_q (t′)a_k_q(t″)> (where a_k () is the kth spatial Fourier component of the density), thereby giving new information on mode-mode coupling. The method obtains its information from triple correlations in the arrival of scattered photons at three detectors. The detectors must be operated in the heterodyne mode (i.e. with a local oscillator); the scattering volume must be much larger than the volume over which molecular positions are correlated. Comparison is made with previous analyses of other multi-detector experiments.     

Some perturbation calculations for 1s2p, 1s 22p,and 1s 22s

The Dalgarno interchange theorem is used, together with the U function approach, to evaluate the first order perturbation corrections to <r ₁ ^-1+r ₂ ^-1> and <r ₁ + r ₂> for the two-electron states 1s2p ¹ P and 1s2p ³ P. The results for <r ₁ + r ₂> are extended by using a screening approximation, and are compared with the results of accurate variational calculations. The first order perturbation correction to spin-weighted expectation values of type <ΣV(r_j )s_zj > is given for the three-electron states 1s ²2p ² P and 1s ²2s ² S. The case V(r_j ) = r _j ^-1 is treated in detail.     

相对论性非球谐振子势场中的赝自旋对称性

求解了非球谐振子势场中1/2自旋粒子满足的Dirac方程,Dirac哈密顿量包含有标量非球谐振子势S(r)和矢量非球谐振子势V(r).在Σ(r)=S(r)+V(r)=0和Δ(r)=V(r)-S(r)=0的条件下,解析地得到了Dirac旋量波函数的束缚态解和能谱方程,结果表明非球谐振子势 关键词： 非球谐振子势 Dirac方程 赝自旋对称性 束缚态     

BeH,H2和BeH2的分子结构和势能函数

用二次组态相关(QCISD)和密度泛函(B3LYP)方法, 选用6-311++g(d,p), 6-311++g(3df,3pd)和D95(3df,3pd)基组对H₂, BeH和BeH₂分子的结构进行优化. 得到它们的基态电子态分别为H₂(¹Σ_g), BeH(²Σ)和BeH₂(¹Σ_{g 关键词： BeH 2}')" href="#">BeH₂ 2')" href="#">H₂ 二次组态相关(QCISD) 势能函数     

Energy and momentum of general spherically symmetric frames on the regularizing teleparallelism

In the context of the covariant teleparallel framework, we use the 2-form translational momentum to compute the total energy of two general spherically symmetric frames. The first one is characterized by an arbitrary function H(r), which preserves the spherical symmetry and reproduces all the previous solutions, while the other one is characterized by a parameter ξ which ensures the vanishing of the axial of trace of the torsion. We calculate the total energy by using two procedures, i.e., when the Weitzenböck connection Γ_α^β is trivial, and show how H(r) and ξ play the role of an inertia that leads the total energy to be unphysical. Therefore, we take into account Γ_α^β and show that although the space×we use contain an arbitrary function and one parameter, they have no effect on the form of the total energy and momentum as it should be.     

Free Energies of Dilute Bose Gases: Upper Bound

We derive an upper bound on the free energy of a Bose gas at density ϱ and temperature T. In combination with the lower bound derived previously by Seiringer (Commun. Math. Phys. 279(3): 595–636, 2008), our result proves that in the low density limit, i.e., when a ³ ϱ≪1, where a denotes the scattering length of the pair-interaction potential, the leading term of Δf, the free energy difference per volume between interacting and ideal Bose gases, is equal to 4pa(2r²-[r-r_c]²₊)4\pi a(2\varrho^{2}-[\varrho-\varrho_{c}]^{2}_{+}). Here, ϱ _c (T) denotes the critical density for Bose–Einstein condensation (for the ideal Bose gas), and [⋅]₊=max {⋅,0} denotes the positive part.     

A global potential energy surface for H2S+(X 4A′′) and quasi-classical trajectory study of the S+(4S) + H2(X1Σ+g) reaction

A novel global potential energy surface for H₂S⁺(X?⁴A″) based on accurate ab initio calculations is presented. Energies are calculated at the multi-reference configuration interaction level with Davidson correction using aug-cc-pVQZ basis set plus core-polarisation high-exponent d functions. A grid of 4552 points is used for the least-square fitting procedure in the frame of a many-body expansion. The topographical features of the new potential energy surface are here discussed in detail. Such a surface is then employed for dynamic studies of the S(⁴S) + H₂(X?¹Σ⁺_g) →SH⁺(X?³Σ^?) + H(²S) reaction using the quasi-classical trajectory method. State specific trajectories are calculated, for both ground and ro-vibrationally excited initial states of H₂(X?¹Σ⁺_g). Corrections to the zero point energy leakage of the classical calculations are also presented. Calculated reaction cross sections and rate constants are here reported and compared with available literature.     

Time-dependent quantum wave packet and quasiclassical trajectory studies of the Au(2S) + H2(X1∑+g) → AuH(X1∑+g) + H(2S) reaction

The time-dependent quantum wave packet (TDWP) and quasiclassical trajectory calculations (QCT) are carried out for the Au(²S) + H₂(X¹∑⁺_g) → AuH(X¹∑⁺_g) + H(²S) reaction on a global potential energy surface. The reaction probabilities at a series of J values, integral cross sections (ICSs) and differential cross sections of the title reaction are calculated by the TDWP method. For reaction probabilities, there are a mass of sharp oscillations at low collision energy, which can be attributed to resonances supported by the potential well. Due to the endothermicity of the title reaction, the total ICS shows a threshold about 1.53 eV. In order to further investigate the reactive mechanism, the lifetime of complex is calculated by QCT method. At the low collision energy, most intermediate complexes are long lived, which implies that the reaction is governed by indirect reactive mechanism. With the collision energy increasing, the direct reactive mechanism occupies the dominant position. Due to the change of the reactive mechanism, the angular distribution shifts toward the forward direction with collision energy increasing. The isotopic variant, Au + D₂→AuD + D reaction, is also calculated by TDWP method. The calculated reaction probabilities and ICSs show that the isotope effect reduces the reactivity.     

Formulation of rough-surface scattering theory in terms of phase factors and approximate solutions based on this formulation

Abstract

This paper presents the formulation of rough-surface scattering theory in which the bounded phase shift factors, ζ(r, α) ζ exp[iαζ(r)], replace the elevation, ζ(r). Both the Dirichlet and the Neumann problems are considered. The integral equations for secondary surface sources are obtained that contain only this phase function in their kernels.

The Neumann (iterative) series for the solutions of the integral equations thus derived are functional Taylor series in powers of L(r, α), not in powers of ζ. If we expand L(r, α) in these series in powers of ζ(r), we obtain the standard perturbation theory series. Thus, the new formulation corresponds to the partial summation of the perturbation series.

Using the Neumann series, we obtain several uniform (with respect to αζ) approximate solutions that contain, as limiting cases, Bragg scattering, the Kirchhoff approximation, and most known advanced approximations.

In the case of random surface z = ζ(r), these new expansions contain the function ζ(r) only in the exponents, and, therefore, the result of averaging can be expressed only in terms of the characteristic functions of the multivariate probability distribution of elevations.     

碰撞能及反应物振动激发对Ar+H_2~+→ArH~++H反应立体动力学性质的影响

基于我们最近所构建的Ar+H+2→ArH++H(12A′)反应的新势能面,采用准经典轨线法研究了碰撞能分别为0.48,0.77,1.24 eV以及能量为0.48 eV时反应物不同振动态下Ar+H+2→ArH++H反应的立体动力学性质.结果显示在给定的碰撞能情况下,以及当反应物振动量子数由0变到2时计算的积分反应截面与实验值符合得较好.通过比较发现,碰撞能对此反应k-j′关联函数P(θr)分布的影响大于其受振动激发的影响,并且关于k-k′-j′三矢量相关的函数P(?r)分布以及极化微分反应截面对碰撞能较敏感,同时发现振动激发对P(?r)分布和极化微分反应截面也有较大的影响.     

Excitation of doublet <Emphasis Type="Italic">D</Emphasis>-levels of a lutetium atom by electron impact

The electron-impact excitation of doublet D-levels of the lutetium atom is studied by the method of extended crossing beams. At the exciting electron energy of 50 eV, 64 excitation cross sections are measured. In the electron energy range of 0–250 eV, nine excitation optical functions are recorded. The occurrence of perturbations in the spectral series 6s ²(¹ S)6p ² P ₁^2/○ − 6s ²(¹ S)nd ² D _3/2 is discussed.     

Perturbation theory for the angular correlation function

A perturbation expression for the angular pair correlation function g ⁽²⁾(r ₁₂, ω₁, ω₂) is derived for systems interacting via non central potentials based on the method developed by Gubbins and Gray [1]. The method uses the ‘correct’ (in the sense of Rushbrooke [3] and Cook and Rowlinson [4]) angle-averaged potential as the reference system about which the perturbation is made. A preliminary comparison between the original Gubbins-Gray expression for g ⁽²⁾(r ₁₂, ω₁, ω₂) and the present expression is made for a system of two-dimensional point dipoles.     

Free energy and orientational phase transition in solid C60

On the basis of a microscopic model, the free energy of the orientationally disordered fcc crystalline phase of C₆₀-fullerite is derived up to fourth order in the rotational density fluctuations. The order parameter variables are symmetry adapted rotator functions which belong to thel=6 andl=10 manifolds. They are basis functions ofT _2g representations of the cubic group. The phase transition to thePa3 structure is discussed, and is found to be of first order. The orientationally ordered phase is described in terms of condensed rotator functions.