NN̄ bound states and resonances near threshold from ππ, πN,NN interactions

The long and medium range NN? potential is deduced by G parity transformation from a new NN theoretical potential which was in turn derived from πN and ππ interactions. Assuming very simple forms for the short range part, we examine the ability of this potential to explain the NN? bound states and resonance at energies near threshold.     

多参考组态相互作用方法研究BS+离子的势能曲线和光谱性质

利用量子化学从头计算方法MRCI+Q在AVQZ级别上对BS⁺离子进行了研究. 通过计算得到了与BS⁺离解极限B⁺（¹S_g）+S（³P_g）和B⁺（¹S_g）+S（¹D）对应的5个Λ-S态,确认了BS⁺离子的基态为X³∏电子态,而第一激发态¹∑⁺的激发能T_e仅仅为564.53 cm^-1. 首次纳入的旋轨耦合效应（SOC）使得BS⁺的5个Λ-S态分裂成为9个Ω态,原有的两个离解极限分裂为B⁺（¹S₀）+S（³P₂）,B⁺（¹S₀）+S（³P₁）,B⁺（¹S₀）+（³P₁）以及B⁺（¹S₀）+S（¹D₂）. 在考虑自旋轨道耦合效应之后,Ω态的基态为X2态. 通过势能曲线（PECs）可以发现所得到的Λ-S态和Ω态均为束缚态,利用LEVEL8.0程序拟合得到了对应电子态的光谱常数,这些结果可以为实验和理论方面进一步研究BS⁺的光谱性质提供准确的电子结构信息. 关键词： 势能曲线 光谱参数 多参考组态相互作用方法 Q)')" href="#">Davidson修正(+Q)     

Low-lying electronic states of CuN calculated by MRCI method

The high accuracy ab initio calculation method of multi-reference configuration interaction(MRCI) is used to compute the low-lying eight electronic states of CuN.The potential energy curves(PECs) of the X~3∑~-,1~3Π,2~3∑~-,1~3△,1~1△,1~1∑~-,1~1Π,and ~5∑~- in a range of R=0.1 nm-0.5 nm are obtained and they are goodly asymptotes to the Cu(~2S_g) + N(~4S_u) and Cu(~2S_g)+N(~2D_u) dissociation limits.All the possible vibrational levels,rotational constants,and spectral constants for the six bound states of X~3∑~-,1~3Π,2~3∑~-,1~1△,1~1∑~-,and 1~1 Π are obtained by solving the radial Schrdinger equation of nuclear motion with the Le Roy provided Level 8.0 program.Also the transition dipole moments from the ground state X~3∑~- to the excited states 1~3Π and 2~3∑~- are calculated and the result indicates that the 2~3∑-X~3∑ transition has a much higher transition dipole moment than the 1~3Π-X~3∑~- transition even though the l~3Π state is much lower in energy than the 2~3∑~- state.     

Hadron-nucleus bound states

A new type of nuclear spectroscopy to study hadron-nucleus bound states is described. The first successful experiment was to search for deeply bound π⁻ states in heavy nuclei using the ²⁰⁸Pb(d,³He) reaction at GSI, in which a narrow peak arising from the 2p π⁻ orbital coupled with the neutron-hole states was observed at 135 MeV excitation energy. An improved experiment has just been carried out to separately identify the 1s and 2p π⁻ states. These experiments provide important information on the local potential strength, from which the effective mass of π⁻ is deduced to be 20 MeV. This method will be extended to search for η and ω bound states as well as for K⁻ bound states. The advantage of the bound-state spectroscopy versus invariant mass spectroscopy is emphasized.     

Integrales radiales d'un atome hydrogenoide a potentiel Coulombien a ecran

The Schrödinger equation for a hydrogenic atom with a screened Coulomb potential has been solved using both the variation method and the Numerov numerical method. The atomic parameters, such as the eigenvalues, the mean electron radii, the radial integrals and the number of bound states are calculated and compared with the values for the unperturbed atom.

It is found that for a few of the atomic states with positive eigenvalues (metastable states), the preionisation probability is definitely larger than the spontaneous probability of transition toward the lower bound atomic states.

The effect of the screening parameter on the eigenvalues, the mean radii and the radial integrals is illustrated with a few tables and figures.     

LiAl分子基态、激发态势能曲线和振动能级

利用单双激发多参考组态相互作用方法获得了LiAl分子基态X¹∑⁺及七个激发态a³∏, A¹∏, b³∑⁺, c³∑⁺, B¹∏, C¹∑⁺, d³∏的势能曲线, 通过势能曲线得到各态的平衡核间距R_e, 进而求得绝热激发能和垂直激发能.计算结果表明:c³∑⁺ 电子态是一个不稳定的排斥态, A¹∏态是一个较弱的束缚态, 其余6个电子态均为束缚态; b³∑⁺与 c³∑⁺态之间存在预解离现象; 8个电子态分别解离到两个通道, 即Li(²S)+Al(²P⁰)与Li(²P⁰)+Al(²P⁰). 接着将势能曲线拟合到Murrel-Sorbie解析势能函数形式, 据此获得各态的光谱数据:基态X¹∑⁺的平衡键长为0.2863 nm, 谐振频率为316 cm^-1, 解离能D_e为1.03 eV, 激发态a³∏, A¹∏, b³∑⁺, c³∑⁺, B¹∏, C¹∑⁺, d³∏的垂直激发能依次为0.27, 0.83, 1.18, 1.14, 1.62, 1.81, 2.00 eV; 解离能依次为1.03, 0.82, 0.26, 排斥态, 1.54, 1.10, 0.93 eV, 相应谐振频率 ω_e为339, 237, 394, 排斥态, 429, 192, 178 cm^-1. 通过求解核运动的薛定谔方程找到了J=0时 LiAl分子7个束缚电子态的振动能级和转动惯量. 关键词： LiAl 光谱常数 势能曲线 振动能级     

Resonances of the NN̄ system within a field theoretical model

The bound resonance states of the NN? system are calculated on the basis of the OBE model for nuclear forces. The widths of these states are for the first time calculated microscopically in as much as the corresponding bloc diagrams for the decay in two bosons are treated explicitly. All parameters of the boson-nucleon coupling scheme were determined from a fitting of the OBEP to the experimental NN scattering phases. In contrast to former treatments (introduction of a phenomenological imaginary part of the potential) three narrow bound states (among a large number of very broad unobservable levels) were found with level widths smaller than 30 MeV. Levels of this kind were suggested by earlier experiments which, however, were not confirmed by later investigations.     

GeO分子激发态的电子结构和跃迁性质的组态相互作用方法研究

应用多参考组态相互作用方法计算了GeO分子的第一解离极限(Ge(³P_g)+O(³P_g))对应的18个Λ-S电子态的电子结构. 计算中纳入了Ge原子的3d轨道电子的内壳层-价壳层电子关联效应、标量相对论效应和Davidson修正. 基于计算的电子态的电子结构, 通过求解径向Schrödinger方程获得了束缚电子态的光谱常数R_e, T_e, ω_e, ω_eχ_e, B_e, 理论计算给出的这些电子态的光谱常数与之前的实验结果符合得很好. 计算了电子态的电偶极矩随核间距的变化, 分析了电子态的组态成分的变化对电偶极矩的影响. 计算的势能曲线表明, 激发态A¹Π, 1¹Σ^-, D¹Δ, a³Π, a’³Σ⁺, d³Δ 和 e³Σ^-的绝热激发能密集地分布于26000-37000 cm^-1范围内, 这些密集分布的电子态之间的相互作用对振动波函数有明显扰动作用. 借助于激发态之间的自旋-轨道耦合矩阵元, 阐明了邻近的激发态对A¹Π和a³Π的扰动作用. 基于计算的A¹Π-X¹Σ⁺和A’¹Σ⁺-X¹Σ⁺跃迁的电偶极跃迁矩和Franck-Condon 因子, 给出了A¹Π 和A’¹Σ⁺态的最低的六个振动能级的辐射寿命.     

BP+基态和激发态的势能曲线和光谱性质的研究

本文利用量子化学中的多参考组态相互作用方法(MRCI), 在aug-cc-pVQZ级别计算了在环境科学中具有重要作用的离子BP⁺. 得到了对应三个离解极限B⁺(¹S_g)+P(⁴S_u), B⁺(¹S_g)+P(²D_u)以及B⁺(¹S_g)+P(²P_u)的6个Λ-S态势能曲线. 在计算中还考虑了Davidson修正(+Q)和标量相对论效应, 用以提高计算精度. 通过分析Λ-S态的电子结构, 确认了电子态的多组态特性. 计算中首次纳入了旋轨耦合效应, 获得了由BP⁺离子的6个Λ-S态分裂出的10个Ω 态的势能曲线. 计算得到的势能曲线表明相同对称性的Ω 态的势能曲线存在着明显的避免交叉. 在得到的Λ-S态和Ω 态的势能曲线的基础上, 运用LEVEL8.0程序通过求解核径向的Schrödinger 方程, 得到了相应的Λ-S态和Ω 态的光谱常数T_e, R_e, ω_e, ω_eχ_e, B_e和D_e, 其中基态X⁴∑^-的光谱常数与已有的理论值符合的非常好, 文中其他电子态的光谱常数均为首次报道. 关键词： 多参考组态相互作用方法(MRCI) 势能曲线 光谱常数 旋轨耦合效应     

具有P?schl-Teller型标量势与矢量势的Klein-Gordon方程和Dirac方程的束缚态

给出了具P?schl-Teller型标量势与矢量势的Klein-Gordon方程和Dirac方程的s波束缚态解. 关键词： P?schl-Teller势 Klein-Gordon方程 Dirac方程 束缚态     

Pion Induced Double Charge Exchange Reaction at Pure Nucleonic Level

The two pure nucleonic mechanisms (the conventional sequential mechanism and the two-nucleon pion absorption-emission mechanisml^[1]) are studied within a unified framework of Distorted Wave Impulse Approximation (DWIA). The distorted pion waves are obtained by solving the Klein-Gordon equation with the first-order optical potential. The difference between this approach and the eikonal approximation is showed. For the two-nucleon pion absorption-emission mechanism the effective Landau-Migadal interaction of Pines, et al.^[2] is used for the two bound nucleons, the result is compared with that by using the Paris force. By combining theee two mechanism the O⁰ excitation functions for the DCX reactions to the isobaric analog states on the ¹⁴C, ¹⁸O, ²⁶Mg and ⁴²Ca are calculated and compared with the experimental data.     

Asymmetric bound states via the quadrupled Schrödinger equation

An efficient iterative method of construction of bound states in an asymmetric potential well is suggested and tested on V(x) = ax² + bx³ + cx⁴.     

Spin-Orbit Force of NN Interaction Based on Chiral SU(3) Quark Model

Spin-orbit force of the NN interaction is studied in the framework of the chiral SU(3) quark model. Both symmetric and antisymmetric spin-orbit (LS) forces of the one gluon exchange and scalar meson exchanges are taken into account. It is shown that although the inclusions of the LS forces caused by the scalar meson exchanges and the antisymmetric LS terms in this model can notably strengthen the LS couplings in the states of ³P_J of the NN interaction, an additional enhancement factor is still needed in order to describe the experimental data.     

Electronic and magnetic structures of chain structured iron selenide compounds

Electronic and magnetic structures of iron selenide compounds Ce2O2FeSe2 （2212＊） and BaFe2Se3 （123＊） are studied by the first-principles calculations. We find that while all these compounds are composed of one-dimensional （1D） Fe chain （or ladder） structures, their electronic structures are not close to be quasi-lD. The magnetic exchange couplings between two nearest-neighbor （NN） chains in 2212＊ and between two NN two-leg-ladders in 123＊ are both antiferromagnetic （AFM）, which is consistent with the presence of significant third NN AFM coupling, a common feature shared in other iron-chalcogenides, FeTe （11＊） and KyFe2-xSe2 （122＊）. In magnetic ground states, each Fe chain of 2212＊ is ferromagnetic and each two-leg ladder of 123＊ form a block-AFM structure. We suggest that all magnetic structures in iron-selenide compounds can be unified into an extended J1-J2-J3 model. Spin-wave excitations of the model are calculated and can be tested by future experiments on these two systems.     

A study of the Li(π, pp)He reaction within the three-body problem

The differential cross section for the ⁶Li(π⁺, pp)⁴He reaction for symmetrical coplanar kinematics has been calculated at the incident pion energy E_π = 70 MeV within the three-body problem + 2N taking into account the Pauli exclusion principle in each N subsystem. Three-body distortions in the final state have been taken into account in the eikonal approximation. The treatment is based on the superposition of the single-particle and two-particle mechanisms of absorption leading to the rescattering of the π- and ρ-mesons through the Δ-isobar. The analytical character of the adopted wave function for the ⁶Li nucleus (the multidimensional gaussian basis) makes it possible to ascertain clearly that the reaction amplitude of the type under study is insensitive to short-range NN correlations both in the initial and final states. The calculated momentum distribution of recoil -particles is in good agreement with the experimental data available, but the experimental accuracy should be improved in order to see the contribution of a specific three-body part of the ⁶Li wave function orthogonal to the ad channel. Some problems to be solved in future are discussed.     

Na_2~+离子较低电子态势能曲线和光谱常数的理论研究

通过多组态相互作用方法,结合原子有效芯势与极化势,利用非收缩的高斯基函数,计算了Na_2~+分子对应最低9个解离限的36个电子态的势能曲线.基于计算获得的束缚态势能曲线,拟合给出了相应的光谱常数,并与已有的实验和理论结果进行了比较.同时,给出了部分电子态的振动-转动能级和一些同类态避免交叉点的信息.计算获得的光谱信息对冷原子分子光谱与动力学的研究具有参考价值.     

A One-Dimensional Model of Hydrogen Molecular Ion

We present a study on a one-dimensional hydrogen molecular ion under the Born-Oppenheimer approximation. A canonical transformation produces the classical system directlyto be a pendulum. The quantum Schrodinger equation is solved analytically and theelectronic energy curves show that the bound states of this 1D model differ from the 2D and 3DH₂⁺. The vibration spectroscopy is also obtained by employing the Morse's eigen wavefunctionsas basis vectors to diagonalize the Hamiltonian for R. The semiclassical quantization yieldselectronic energies in agreement with the quantum ones reasonably.     

无反射势的Schr?dinger方程严格解的三维推广

文献[1]给出无反射势V(x)=-N(N+1)sech²x当N为任意正整数时Schr?dinger方程束缚态和散射态的严格解。本文推广文献[1]的工作,继续给出三维情况下无反射势Schr?dinger方程束缚态和散射态的严格解,并得到了与一维情况不同的一些物理结果。 关键词：     

Klein Paradox of Two-Dimensional Dirac Electrons in Circular Well Potential

We study two-dimensional massive Dirac equation in circular well potential. The energies of bound states are obtained. We demonstrate the Klein paradox of this relativistic wave equation:For large enough potential depth, the bound states disappear from the spectra. Applications to graphene systems are discussed.     

Study of ω-, η-, η′- and D-mesic nuclei

Using the quark-meson coupling (QMC) model, we investigate whether ω, η, η′ and D⁻ mesons form meson-nucleus bound states. Our results suggest that one should expect to find η- and ω-nucleus bound states in all the nuclei considered. Furthermore, it is shown that the D⁻ meson will form quite narrow bound states with ²⁰⁸Pb.