低温下自旋为1/2的海森伯亚铁磁棱型链的1/3磁化平台

本文利用Jordan-Wigner变换和不变本征算符法计算了低温下自旋为1/2的海森伯亚铁磁棱型链系统的元激发谱,得到了三支没有简并的元激发谱.利用不变本征算符法对系统的哈密顿量进行了对角化,并导出有限温度和外磁场下的系统的配分函数及磁化强度.在绝对零度与有限温度下,通过分析诸交换积分(J1,J2,J3,Jm)对系统的磁化强度随外磁场的变化规律,得到了系统的三个临界磁场强度(HCB,HCE,HCS),并从三支元激发的性质说明了三个临界磁场强度起源及系统的磁化强度随外磁场变化出现1/3磁化平台的起因.     

低温下自旋为1/2的一维亚铁磁棱型链系统的元激发谱

利用不变本征算符法计算了低温下自旋为1/2的一维亚铁磁棱型链系统的元激发谱,并讨论了在此系统中不同的特殊情形下的元激发能量及不变本征算符法的优点与不足.     

关于数学物理方法课程的若干问答(续1)

20何谓偏微分方程定解问题的弱解?这可以看成是问题17的具体化.因此,不妨以两端固定弦的横振动问题为例.设有定解问题     

Energy-pooling collisions in Rb-Cs vapor mixture Rb(5PJ)+Cs(6P3/2) → Rb(5S1/2)+Cs(nlJ'')

Rate coefficients for energy-pooling (EP) collisions Rb(5PJ) + Cs(6P3/2) → Rb(5S1/2) + Cs(nlJ') have been measured.Atoms were excited to Rb(5PJ) and Cs(6P3/2) states using two single-mode diode lasers.To isolate the heteronuclear contribution in the fluorescence spectrum,a double-modulation technique has been adopted.The excited-atom density and spatial distribution are mapped by monitoring the absorption of a counterpropagating single-mode diode laser beam,tuned to Rb(5PJ → 7S1/2) and Cs(6P3/2 →8S1/2) transitions respectively,which could be translated parallelly to the pump beams.The excited atom densities are combined with the measured fluorescence ratios to determine cross sections for the EP processes.It was found that Rb(5P1/2)+Cs(6P3/2) collisions are more efficient than Rb(5P3/2)+Cs(6P3/2)collisions for populating Cs(4F5/2),while the opposite is true for populating Cs(4F7/2).     

The Mössbauer spectrum of synthetic hureaulite: Fe5 2+(H2O)4(PO4H)2(PO4)2

The crystal structure of synthetic ferrous hureaulite, Fe₅ ²⁺ (H₂O)₄(PO₄H)₂(PO₄)₂, was refined from single-crystal X-ray data. It is monoclinic, space group C2/c, with a=17.487(4), b=9.017(2), c=9.338(2) Å, β=96.27(3)°, V=1463.6(6) Å³, Z=4 and D _calc=3.327 g/cm³. This end member of the hureaulite series was crystallized under distinctly acidic conditions, by a method that gives perfect crystals, large enough for X-ray single crystal studies. The main feature of the hureaulite structure is that it has an equal number of normal (PO₄)³⁺ and acid (PO₄H)²⁺ tetradentate groups. These are centered on Fe²⁺ atoms and share corners with edge-linked octahedra, forming pentamer units. The five Fe²⁺ atoms are distributed on three distinct sites in these units. This can be directly observed in the Mössbauer spectrum at 295 K, which contains three doublets whose relative intensities correspond to the 1:2:2 distributions of crystallographic sites.     

Rovibronic structure in the electron energy spectrum for associative ionization: Ne(3 P 2), Ar(3 P 2)+H

Associative ionization in thermal energy (300 K) collisions between Ne(2p ⁵ 3s ³P₂), Ar(3p ⁵ 4s ³ P ₂) metastable atoms and hydrogen atomsH(1s ² S _1/2) has been studied by high resolution (20 meV) electron spectrometry. The spectra exhibit structure due to the formation of different vibrational states in the molecular ion and show superimposed rotational structure. Direct information is obtained on the relative population of the rovibronic states and on their energy positions. The well depth of the ionic potential curves has been determined as:D _e (NeH ⁺ X ¹ Σ ⁺)=2.27 (3) eV,D _e (ArH ⁺ X ¹ Σ ⁺)=4.02(3) eV.     

Fe(5D/3D)+CH2(1A1)→FeC+H2的理论研究

采用密度泛函理论(DFT)中的UB3LYP方法在6-311 G(2d,2p)水平上研究了五重态和三重态的Fe与单重态CH2反应的机理,在UB3LYP结构优化的基础上用耦合簇理论方法UCCSD(T)在相同水平下对各驻点进行了单点能校正.结果表明,该反应在三重态和五重态上的势能面非常相似,都经过两个过渡态(TS1、TS2)和三个中间体(FeCH2、HFeCH、H2FeC),五重态和三重态势能面在形成中间体FeCH2前发生交叉,整个反应沿三重态路径进行,最后得到三重态的FeC和H2.该反应是一个四步反应,其中由HFeCH到H2FeC的反应步骤为整个反应的速率控制步骤,反应的活化能为176.3 kJ/mol.     

Exact SO(5) symmetry in the spin-3/2 fermionic system

The spin-3/2 fermion models with contact interactions have a generic SO5 symmetry without any fine-tuning of parameters. Its physical consequences are discussed in both the continuum and lattice models. A Monte Carlo algorithm free of the sign problem at any doping and lattice topology is designed when the singlet and quintet interactions satisfy U0< or = U2< or = -3/5 U0 (U0< or = 0), thus making it possible to study different competing orders with high numerical accuracy. This model can be accurately realized in ultracold atomic systems.     

气相反应N(4S)+O2(X3∑g-)→NO(X2Π)+O(3P)的准经典轨线研究

基于从头算数据拟合得到的新的基态势能面,对气相反应N(4S) O2(X3∑g-)→NO(X2Π) O(3P)进行了系统的准经典轨线研究.文中计算了该反应的反应几率、反应截面以及在T=300、500、700 K时的热速率常数.通过与以前的理论值和实验值比较发现,我们算得的结果与实验值符合得很好.     

Photoassociation spectra of ultracold ~(85)Rb_2 molecule in 0_u~+ long range state near the 5S_(1/2)+ 5P_(1/2) asymptote

We investigate the high resolution photoassociation spectra of ~(85)Rb_2 molecules in 0~+_u long range state below the(5S_(1/2)+ 5P_(1/2)) asymptote. The ~(85)Rb atomic samples are trapped in a dark magneto–optical trap(MOT) and prepared in the dark state. With the help of trap loss technique, we obtain considerable photoassociation spectroscopy with rovibrational resolution, some of which have never been observed before. The observed spectrum is fitted by a rigid rotation model, and the rotational constants of ultracold ~(85)Rb_2 molecule in long range 0~+_u are obtained for different vibrational states. By applying the Le Roy–Bernstein method, we assign the vibrational quantum numbers and derive C_3 coefficient, which is used to obtain the potential energy curve.     

Measurement of absolute cross sections for excitation of the 3s(2)3p(5) 2P(o)(3/2)- 3s(2)3p(5) 2P(o)(1/2) fine-structure transition in Fe9+

Experimental cross sections are reported for the 3s(2)3p(5) 2P(o)(3/2)- 3s(2)3p(5) 2P(o)(1/2) transition in Fe9+ located at 1.945 eV. The center-of-mass interaction energies are in the range of 1.72 eV (below threshold) through threshold, to 5.6 eV (2.9 x threshold). Data are compared with results of a 49-state Breit-Pauli R-matrix theory. The experiment detects structures at 3.5 and 4.6 eV corresponding to enhancement of the direct excitation via many narrow, closely spaced resonances about these energies calculated by the theory. Iron is present in practically every astrophysical object, as well as being an impurity in fusion plasmas. Present data are the first electron-energy-loss measurements on a highly charged iron ion.     

Ar(3P0,2)+NH3初生态产物NH2(2A1)的内态分布

首次报告了在分子束条件下,研究Ar(3P0,2)+NH3碰撞解离反应·利用单光子计数方法进行测量,获得了部分转动分辨的初生态产物NH2(2A1)→（2B1）发射谱,并详细地进行了标识·发现主要为（0,v 2',0)→（0,0,0）跃迁（v2'≤5,K'a≤6,J'≤10)。通过对部分分辨较好的光谱范围进行了模拟,得到反应生成的NH2(2A1,v2'=2,k'a =1)态绕b/c轴的转动温度为1050K,高于母体分子NH3的转动温度300K。由亚稳态碰撞传能电子交换机理认为这是由于碰撞对手Ar和母体NH3分离时反冲作用的结果。碰撞传能解离机理和光解过程不同,后者仅观察到轴的转动激发。