Energy Spectrum of Helium Confined to a Two-Dimensional Space

Making use of the adiabatic hyperspherical approach, we report a calculation for the energy spectrum of the ground and low-excited states of a two-dimensional helium in a magnetic field. The results show that the ground and low-excited states of helium in low-dimensional space are more stable than those in three-dimensional space and there may exist more bound states.     

Isotope effect in collision between heliumatom and hydrogen bromide molecule

The anisotropic potential developed in our previous research and the close-coupling method are applied to the HBr-3He （4He, 5He, 6He, 7He） system, and the partial cross sections （PCSs） at the incident energy of 60meV are calculated. Based on the calculations, the influences of the isotope helium atom on PCSs are discussed in detail. The results show that the excitation PCSs converge faster than the elastic PCSs for the collision energy and the systems considered here. Also the excitation PCSs converge more rapidly for the high-excited states. The tail effect is present only in elastic scattering and low-exclted states but not in high-excited states. With the increase of reduced mass of the collision system, the converging speed of the elastic and excitation PCSs slows down, and the tail effect goes up.     

Global Regularity for the Navier-Stokes-Maxwell System with Fractional Diffusion

In this paper, we study the global regularity for the Navier-Stokes-Maxwell system with fractional diffusion. Existence and uniqueness of global strong solution are proved for \(\alpha \geqslant \frac {3}{2}\). When 0 < α < 1, global existence is obtained provided that the initial data \(\|u_{0}\|_{H^{\frac {5}{2}-2\alpha }}+\|E_{0}\|_{H^{\frac {5}{2}-2\alpha }}+\|B_{0}\|_{H^{\frac {5}{2}-2\alpha }}\) is sufficiently small. Moreover, when \(1<\alpha <\frac {3}{2}\), global existence is obtained if for any ε >?0, the initial data \(\|u_{0}\|_{H^{\frac {3}{2}-\alpha +\varepsilon }}+\|E_{0}\|_{H^{\frac {3}{2}-\alpha +\varepsilon }}+\|B_{0}\|_{H^{\frac {3}{2}-\alpha +\varepsilon }}\) is small enough.     

A Helium Atom Confined by a Spherical Gaussian Potential Well

The helium atom confined by a non-impenetrable spherical box, i.e., a spherical Gaussian potential well which possesses finite height and range, is studied employing the exact diagonalization method. Total energies of the ground and three low-excited states are obtained as a function of the confined potential radii. We find that the confinement may cause accidental degeneracies between levels with different low-excited states and the inversion of the energy values. The results for the three-dimensional spherical potential well and the two-dimensional disc-like potential well are compared with each other： in general, the energies of the states decrease and the energy intervals between states increase with the reduction of the space dimensions.     

Spin polarization effect for molecule Ta2

Density functional theory （DFT） （B3p86） has been used to optimize the structure of the molecule Ta2. The result shows that the ground state of molecule Ta2 is a 7-multiple state and its electronic configuration is ^7∑u^＋, which shows the spin polarization effect for molecule Ta2 of transition metal elements for the first time. Meanwhile, spin pollution has not been found because the wavefunction of the ground state does not mix with those of higher states. So, the fact that the ground state of molecule Ta2 is a 7-multiple state indicates a spin polarization effect of molecule Ta2 of the transition metal elements, i.e. there exist 6 parallel spin electrons and the non-conjugated electrons are greatest in number. These electrons occupy different space orbitals so that the energy of molecule Ta2 is minimized. It can be concluded that the effect of parallel spin of the molecule Ta2 is larger than the effect of the conjugated molecule, which is obviously related to the effect of d-electron delocalization. In addition, the Murrell-Sorbie potential functions with parameters for the ground state ^7∑u^＋ and other states of the molecule Ta2 are derived. The dissociation energy De, equilibrium bond length Re and vibration frequency we for the ground state of molecule Ta2 are 4.5513eV, 0.2433nm and 173.06cm^-1, respectively. Its force constants f2, f3 and f4 are 1.5965×10^2aJ.nm^-2, -6.4722×10^3aJ·nm^-3 and 29.4851×10^4aJ·nm^-4, respectively. Other spectroscopic data we xe, Be and αe for the ground state of Ta2 are 0.2078cm^-1, 0.0315 cm^-1 and 0.7858×10^-4 cm^-1, respectively.     

Multireference configuration interaction potential curve and analytical potential energy function of the ground and low-lying excited states of CdSe

The potential energy curves (PECs) of the ground state ($^{3}\Pi )$ and three low-lying excited states ($^{1}\Sigma $, $^{3}\Sigma $,$^{ 1}\Pi )$ of CdSe dimer have been studied by employing quasirelativistic effective core potentials on the basis of the complete active space self-consistent field method followed by multireference configuration interaction calculation. The four PECs are fitted to analytical potential energy functions using the Murrel--Sorbie potential function. Based on the PECs, the vibrational levels of the four states are determined by solving the Schr\"{o}dinger equation of nuclear motion, and corresponding spectroscopic constants are accurately calculated. The equilibrium positions as well as the spectroscopic constants and the vibrational levels are reported. By our analysis, the $^{3}\Pi $ state, of which the dissociation asymptote is Cd($^{1}$S) + Se($^{3}$P), is identified as a ground state of CdSe dimer, and the corresponding dissociation energy is estimated to be 0.39\,eV. However, the first excited state is only 1132.49\,cm$^{ - 1}$ above the ground state and the $^{3}\Sigma $ state is the highest in the four calculated states.     

Small BGK Waves and Nonlinear Landau Damping

Consider a 1D Vlasov-poisson system with a fixed ion background and periodic condition on the space variable. First, we show that for general homogeneous equilibria, within any small neighborhood in the Sobolev space ${W^{s,p}\left( p >1 ,s <1 +\frac{1}{p}\right)}${W^{s,p}\left( p >1 ,s <1 +\frac{1}{p}\right)} of the steady distribution function, there exist nontrivial travelling wave solutions (BGK waves) with arbitrary minimal period and traveling speed. This implies that nonlinear Landau damping is not true in W^s,p( s < 1 +\frac1p){W^{s,p}\left( s <1 +\frac{1}{p}\right)} space for any homogeneous equilibria and any spatial period. Indeed, in a W^s,p(s < 1 +\frac1p){W^{s,p}\left(s <1 +\frac{1}{p}\right)} neighborhood of any homogeneous state, the long time dynamics is very rich, including travelling BGK waves, unstable homogeneous states and their possible invariant manifolds. Second, it is shown that for homogeneous equilibria satisfying Penrose’s linear stability condition, there exist no nontrivial travelling BGK waves and unstable homogeneous states in some ${W^{s,p}\left( p >1 ,s >1 +\frac{1}{p}\right)}${W^{s,p}\left( p >1 ,s >1 +\frac{1}{p}\right)} neighborhood. Furthermore, when p = 2, we prove that there exist no nontrivial invariant structures in the ${H^{s}\left( s > \frac{3}{2}\right) }${H^{s}\left( s > \frac{3}{2}\right) } neighborhood of stable homogeneous states. These results suggest the long time dynamics in the ${W^{s,p}\left( s >1 +\frac{1}{p}\right) }${W^{s,p}\left( s >1 +\frac{1}{p}\right) } and particularly, in the ${H^{s}\left( s > \frac{3}{2}\right) }${H^{s}\left( s > \frac{3}{2}\right) } neighborhoods of a stable homogeneous state might be relatively simple. We also demonstrate that linear damping holds for initial perturbations in very rough spaces, for a linearly stable homogeneous state. This suggests that the contrasting dynamics in W ^{s, p} spaces with the critical power s=1+\frac1p{s=1+\frac{1}{p}} is a truly nonlinear phenomena which can not be traced back to the linear level.     

Ferroelectricity in diatomic Ising chain as investigated by elastic Ising model

An elastic Ising model for a one-dimensional diatomic spin chain is proposed to explain the ferroelectricity induced by the collinear magnetic order with a low-excited energy state. A statistical theory based on this model is developed to calculate the electrical and magnetic properties of Ca₃CoMnO₆, a typical quasi-one-dimensional diatomic spin chain system. The calculated ferroelectric polarization and dielectric susceptibility show a good agreement with recently reported data on Ca₃Co_2-xMn_xO₆ (x ≈0.96) (Phys. Rev. Lett. 100 047601 (2008)), although the predicted magnetic susceptibility does not coincide well with experiment. We also address the rationality and deficiency of this model by including a first-order correction which improves the consistency between the model and experiment.     

Spin polarization effect for Co2 molecule

The density functional theory (DFT)(b3p86) of Gaussian 03 has been used to optimize the structure of the Co$_{2}$ molecule, a transition metal element molecule. The result shows that the ground state for the Co$_{2}$ molecule is a 7-multiple state, indicating a spin polarization effect in the Co$_{2}$ molecule. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state is not mingled with wavefunctions of higher-energy states. So for the ground state of Co$_{2}$ molecule to be a 7-multiple state is the indicative of spin polarization effect of the Co$_{2}$ molecule, that is, there exist 6 parallel spin electrons in a Co$_{2}$ molecule. The number of non-conjugated electrons is the greatest. These electrons occupy different spacial orbitals so that the energy of the Co$_{2}$ molecule is minimized. It can be concluded that the effect of parallel spin in the Co$_{2}$ molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell--Sorbie potential functions with the parameters for the ground state and the other states of the Co$_{2}$ molecule are derived. The dissociation energy $De$ for the ground state of Co$_{2}$ molecule is 4.0489eV, equilibrium bond length $R_{\rm e}$ is 0.2061~nm, and vibration frequency $\omega _\e $ is 378.13~cm$^{ - 1}$. Its diatomic molecule force constants $f_2$, $f_3$, and $f_4$ are 2.4824~aJ$\cdot$nm$^{ - 2}$, -7.3451~aJ$\cdot$nm$^{ - 3}$, and 11.2222~aJ$\cdot$nm$^{ - 4 }$respectively(1~aJ=$10^{-18}$~J). The other spectroscopic data for the ground state of Co$_{2}$ molecule $\omega_{\e}\chi _{\e}$, $B_{\e}$, and $\alpha_{\e}$ are 0.7202~cm$^{-1}$, 0.1347~cm$^{-1 }$, and 2.9120$\times $ 10$^{-1}$~cm$^{-1}$ respectively. And $\omega_{\e}\chi _{\e}$ is the non-syntonic part of frequency, $B_{\e}$ is the rotational constant, $\alpha_{\e}$ is revised constant of rotational constant for non-rigid part of Co$_2$ molecule.     

On the Convexity of the KdV Hamiltonian

Motivated by perturbation theory, we prove that the nonlinear part \({H^{*}}\) of the KdV Hamiltonian \({H^{kdv}}\), when expressed in action variables \({I = (I_{n})_{n \geqslant 1}}\), extends to a real analytic function on the positive quadrant \({\ell^{2}_{+}(\mathbb{N})}\) of \({\ell^{2}(\mathbb{N})}\) and is strictly concave near \({0}\). As a consequence, the differential of \({H^{*}}\) defines a local diffeomorphism near 0 of \({\ell_{\mathbb{C}}^{2}(\mathbb{N})}\). Furthermore, we prove that the Fourier-Lebesgue spaces \({\mathcal{F}\mathcal{L}^{s,p}}\) with \({-1/2 \leqslant s \leqslant 0}\) and \({2 \leqslant p < \infty}\), admit global KdV-Birkhoff coordinates. In particular, it means that \({\ell^{2}_+(\mathbb{N})}\) is the space of action variables of the underlying phase space \({\mathcal{F}\mathcal{L}^{-1/2,4}}\) and that the KdV equation is globally in time \({C^{0}}\)-well-posed on \({\mathcal{F}\mathcal{L}^{-1/2,4}}\).     

一些近期发现的同核异能态的壳模型解释

近期,在101In、123,125Ag和218Pa等核中,首次观测到同核异能态。本工作通过原子核壳模型解释In、Ag同位素和$N\!=\!127$同中素中的这些同核异能态及相关的同核异能态背后的物理原因。101-109In这五个奇A核In同位素中,观测到的$1/2^{-}$同核异能态的激发能非常接近。这可以通过引入中子近期,在101In、123,125Ag和218Pa等核中,首次观测到同核异能态。本工作通过原子核壳模型解释In、Ag同位素和$N\!=\!127$同中素中的这些同核异能态及相关的同核异能态背后的物理原因。101-109In这五个奇A核In同位素中,观测到的$1/2^{-}$同核异能态的激发能非常接近。这可以通过引入中子$0g_{7/2}$和$1d_{5/2}$轨道间的很强的组态混合来解释。更进一步分析表明,这些奇A核In同位素中,从$9/2^{+}$基态到$1/2^{-}$同核异能态,一个质子从$1p_{1/2}$轨道激发到$0g_{9/2}$轨道。这一质子组态变化可能引发中子$0g_{7/2}$和$1d_{5/2}$轨道的单粒子能变化。这样一个原子核内的组态依赖的壳演化被称为第二类壳演化。与In同位素类似,123,125Ag的同核异能态被发现是$1/2^{-}$态,对应着一个质子空穴在$1p_{1/2}$轨道。但之前观测到的115,117Ag的$1/2^{-}$态是基态。这意味着质子$1p_{1/2}$轨道和$0g_{9/2}$轨道在$N\!=\!72$附近发生了反转。壳模型分析表明张量力是造成这两个轨道反转的决定性原因。之前观测到的奇奇核$N\!=\!127$同中素210Bi、212At、214Fr和216Ac中,基态是$1^{-}$态,同时存在高自旋的同核异能态。然而,基于$\alpha$衰变性质和壳模型计算,推荐218Pa中的基态和新发现的同核异能态分别为$8^{-}$态和$1^{-}$态。奇奇核$N\!=\!127$同中素基态和同核异能态的演化是由质子中子相互作用从粒子粒子形式转化为空穴粒子形式以及质子组态混合所导致。总的来说,壳模型对这些双幻核100Sn、132Sn和208Pb附近核中新发现的同核异能态有较好的描述。双幻核附近核中的同核异能态,也称为壳模型同核异能态,是核结构研究中非常重要的。因为这些同核异能态常常提供了中重质量区域极端丰中子和缺中子原子核中的第一个谱学性质,并包含了丰富的物理信息,比如质子中子相互作用及其在壳演化中的作用。     

A Study of a Confined Hydrogen Negative Ion

The ground and three low-excited states of the hydrogen negative ion confined by a spherical harmonic oscillator potential are studied employing the adiabatic hyperspherical approach method. Total energies are obtained as a function of the confined potential radii. We find that the confinement may cause accidental degeneracies between levels with different low-excited states and the inversion of the energy values.     

Spin polarization effect for Os2 molecule

Density functional Theory （DFT） （B3p86） of Gaussian03 has been used to optimize the structure of Os2 molecule. The result shows that the ground state for Os2 molecule is 9-multiple state and its electronic configuration is ^9∑^＋g, which shows spin polarization effect of Os2 molecule of transition metal elements for the first time. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state does not mingle with wavefunctions with higher energy states. So, the fact that the ground state for Os2 molecule is a 9-multiple state is indicative of spin polarization effect of Os2 molecule of transition metal elements. That is, there exist 8 parallel spin electrons. The non-conjugated electron is greatest in number. These electrons occupy different spacious tracks, so that the energy of Os2 molecule is minimized. It can be concluded that the effect of parallel spin of Os2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell-Sorbie potential functions with the parameters for the ground state ^9∑^＋g and other states of Os2 molecule are derived. Dissociation energy De for the ground state of Os2 molecule is 3.3971eV, equilibrium bond length Re is 0.2403nm, vibration frequency ωe is 235.32cm^-1. Its force constants f2, f3, and f4 are 3.1032×10^2aJ·nm^-2, -14.3425×10^3aJ·nm^-3 and 50.5792×10^4aJ·nm^-4 respectively. The other spectroscopic data for the ground state of Os2 molecule ωexe, Be and ae are 0.4277cm^- 1, 0.0307cm^- 1 and 0.6491 × 10^-4cm^-1 respectively.     

Spin polarization effect for Tc2 molecule

Density functional method (DFT) (B3p86) of Gaussian98 has been used to optimize the structure of the Tc_2 molecule. The result shows that the ground state for Tc_2 molecule is an 11-multiple state and its electronic configuration is {}^{11}Σ_g^-, which shows the spin polarization effect of Tc_2 molecule of a transition metal element for the first time. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state does not mingle with wavefunctions of higher energy states. So, that the ground state for Tc_2 molecule is an 11-multiple state is indicative of the spin polarization effect of Tc_2 molecule of a transition metal element: that is, there exist 10 parallel spin electrons. The non-conjugated electron is greatest in number. These electrons occupy different spacious tracks, so that the energy of Tc_2 molecule is minimized. It can be concluded that the effect of parallel spin of the Tc_2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell--Sorbie potential functions with the parameters for the ground state {}^{11}Σ_g^- and other states of Tc_2 molecule are derived. Dissociation energy D_e for the ground state of T_{c2} molecule is 2.266eV, equilibrium bond length R_e is 0.2841nm, vibration frequency ω_e is 178.52cm^{-1}. Its force constants f_2, f_3, and f_4 are 0.9200aJ·nm^{-2}, --3.5700aJ·nm^{-3}, 11.2748aJ·nm^{-4} respectively. The other spectroscopic data for the ground state of Tc_2 molecule ω_eχ_e, B_e, α_e are 0.5523cm^{-1}, 0.0426cm^{-1}, 1.6331×10^{-4}cm^{-1} respectively.     

Spin polarization effect for Cr2 molecule

Density functional theory （DFT） （B3P86） of Gaussian 03 has been used to optimize the structure of the Cr2 molecule, a transition metal element molecule. The result shows that the ground state for the Cr2 molecule is a 13- multiple state, indicating that there exists a spin polarization effect in the Cr2 molecule. Meanwhile, we have not found any spin pollution because the wave function of the ground state does not mingle with wave functions of higher-energy states. So the ground state for Cr2 molecule being a 13-multiple state is indicative of spin polarization effect of the Cr2 molecule among transition metal elements, that is, there are 12 parallel spin electrons in the Cr2 molecule. The number of non-conjugated electrons is greatest. These electrons occupy different spatial orbitals so that the energy of the Cr2 molecule is minimized. It can be concluded that the effect of parallel spin in the Cr2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell Sorbie potential functions with the parameters for the ground state and other states of the Cr2 molecule are derived. The dissociation energy De for the ground state of the Cr2 molecule is 0.1034eV, equilibrium bond length Re is 0.3396 nm, and vibration frequency we is 73.81cm^-1. Its force constants f2, f3 and f4 are 0.0835, -0.2831 and 0.3535 aJ. nm^-4 respectively. The other spectroscopic data for the ground state of the Cr2 molecule ωeχe, Be and αe are 1.2105, 0.0562 and 7.2938 x 10^-4cm^-1 respectively.     

Supersymmetry and cohomology of graph complexes

Letters in Mathematical Physics - I describe a combinatorial construction of the cohomology classes in compactified moduli spaces of curves $$\widehat{Z}_{I}\in H^{*}\left( \bar{\mathcal...     

Quantum numbers of the pentaquark states ${{\rm{P}}}_{{\rm{c}}}^{+}$ via symmetry analysis

We investigate the quantum numbers of the pentaquark states ${{\rm{P}}}_{{\rm{c}}}^{+}$, which are composed of 4 (three flavors) quarks and an antiquark, by analyzing their inherent nodal structure in this paper. Assuming that the four quarks form a tetrahedron or a square, and the antiquark is at the ground state, we determine the nodeless structure of the states with orbital angular moment L≤3, and in turn, the accessible low-lying states. Since the inherent nodal structure depends only on the inherent geometric symmetry, we propose the quantum numbers J^P of the low-lying pentaquark states ${{\rm{P}}}_{c}^{+}$ may be ${\tfrac{3}{2}}^{-}$, ${\tfrac{5}{2}}^{-}$, ${\tfrac{3}{2}}^{+}$and ${\tfrac{5}{2}}^{+}$, independent of dynamical models.     

The characteristics of doubly and triply charged ions C2^2＋, C2^2- and C2^3＋

Based on group theory and atomic and molecular reaction statics, this paper derives the possible electronic states of C^{2+}_2, C^{2-}_2 and C^{3+}_2, and their reasonable dissociation limits and determines their ground electronic states C^{2+}_2(X^3Π_u), C^{2-}_2(X^1Σ^+_g) and C^{3+}_2(X^4Σ^-_u) using quantum mechanical calculations at the level of QCISD/6-311G^*. All the potential energy curves of their ground states have both a minimum and a maximum, which are the so-called "energy trapped" molecules. This sort of potential maximum is chiefly due to Coulomb repulsion. We propose the perturbation effect of ionic charges, which is used to explain why the orbital degeneracy of diatomic ions may be removed. The characteristics of potential curves for diatomic ions are briefly described.     

Calculation of Energies of the Ground and Low Excited States of a Confined Helium Atom in a Spherical Parabolic Well

Making use of the adiabatic hyperspherical approach, we report a calculation for the energy spectrum of the ground and low-excited states of the confined helium atom in a spherical parabolic well. We find that the energies of a spherical parabolic well are in good agreement with those of an impenetrable spherical box for the larger confined potential radius. However, the energy values of a spherical parabolic well are much lower than those of an impenetrable spherical box for small values of re. We also find that the confinement may cause accidental degeneracies between levels with different low-excited states and the inversion of the energy values.     

Charged Higgs Boson Contribution to \overline{\nu}_{e}-e Scattering from Low to Ultrahigh Energy in Higgs Triplet Model

We study the $\overline{\nu}_{e}-e$ scattering from low to ultrahigh energy in the framework of Higgs Triplet Model (HTM). We add the contribution of charged Higgs boson exchange to the total cross section of the scattering. We obtain the upper bound $h_{ee}/M_{H^{\pm}}\lesssim2.8\times10^{-3}~\mbox{GeV}^{-1}$ in this process from low energy experiment. We show that by using the upper bound obtained, the charged Higgs contribution can give enhancements to the total cross section with respect to the SM prediction up to 5.16 % at E≤10¹⁴ eV and maximum at $s\approx M_{H^{\pm}}^{2}$ and would help to determine the feasibility experiments to discriminate between SM and HTM at current available facilities.