三价原子的非相对论能级结构理论

本文以原子结构的拉卡方法为基础,从三价原子的拉卡基出发,反复利用三个角动量耦合的基本关系以及3j、6j、9j符号的性质,具体推导了(n1 l1)(n2 l2)(n3l3)和(n1 l1)2(n3l3)组态下三价原子非相对论哈密顿矩阵元的计算式,除径向部分用Slater-Condon径向积分表示以外,完成了所有的角向积分与自旋求和;简要举例说明了如何利用该矩阵元计算式推导三价原子非相对论谱项能量表达式以及利用变分原理确定其中的Slater-Condon径向积分,从而求出具体的谱项能量数值.可以说,本文已建立起三价原子非相对论性能级结构的一般理论.     

氦原子(n1sn2p)组态能级的相对论修正

本文采用拉卡基函数并借助不可约张量理论,导出氦原子(n1sn2p)组态的各种相对论效应的理论计算式,在这一过程中,完成了所有的角向积分和自旋求和计算,其结果用径向矩阵元形式来表示.     

氦原子(n1sn2p)组态精细结构的解析计算

以双电子原子精细结构哈密顿的球张量形式和二价原子的非相对论性能级结构理论为基础,借助不可约张量理论,导出了氦原子(n1sn2p)组态精细结构能级的解析表达式,在这一过程中,完成了所有的角向积分和自旋求和计算,其结果用若干个径向矩阵元形式来表示.     

用高压显微光谱系统研究非晶态As_2S_3的光学折射率随流体静压力变化的规律

用金刚石对顶砧高压显微光谱系统在高达66kbar的流体静压力和光谱波段为400—900nm范围内,用透射光干涉谱法测量了非晶态As_2S_3(a-As_2S_3)的光学折射率n与压力p以及波长λ的变化关系。a-As_2S_3的折射率对压力极为敏感,在波长为650nm,压力从1bar变到66kbar时,它增加35％。在计算机上用最小二乘法对实验点进行拟合的结果得到:对某一波长λ来说,遵循n(P)=n(0) Ap Bp~2的非线性关系。其中n(p)和n(0)是p压和常压下的折射率,A和B是与波长有关的系数,文中给出了A和B的具体参数。这个关系与Weinstein和Galkiewicz等人公布的n(p)和p之间遵循线性关系不同。     

190Pt的高自旋态研究

利用176Yb (18O, 4n)熔合蒸发反应,在束流能量95和88MeV下,研究了190Pt的激发态能级结构. 用12套带BGO反康普顿抑制的高纯锗探测器阵列进行了γ-γ-t符合测量. 基于实验测量结果,在14+（3413.6keV）的能态上建立了一个新的能级结构,并建议其组态为ni13/2-2 nh9/2-1nj (j=p3/2 or f5/2).     

p-n型GaInP_2/GaAs叠层太阳电池研究

报道了对p n型GaInP2 GaAs叠层太阳电池的研究结果 .采用低压金属有机物化学气相沉积工艺制备电池样品 .通过对GaInP2 顶电池中场助收集效应的计算机模拟 ,提出用p p- n- n 结构取代常用的p n结构 ,显著改善了GaInP2 顶电池和GaInP2 GaAs叠层太阳电池的光伏性能 ,使其光电转换效率 (Eff)分别达到 14 2 6 %和 2 3 82 %(AM0 ,2 5℃ ,2× 2cm2 )     

第Ⅱ种强度不等的两态叠加多模叠加态光场的等阶N次方H压缩——1腔模总数与压缩阶数两者之积取偶数的情形

利用多模压缩态理论研究了第Ⅱ种强度不等的非对称两态叠加多模叠加态光场|Ψ(ab)Ⅱ〉q的等阶N次方H压缩特性.结果发现:1) 当腔模总数q与压缩阶数N的乘积取偶数,亦即qN=2p时,无论p=2m(m=1,2,3,…,…),还是p=2m+1(m=0,1,2,3,…,…),只要各模的初始相位差(φ(a)j-φ(b)j)、态间的初始相位差(θ(aR)nq-θ(bI)nq)及光子干涉项的幅度∑qj=1R(a)jR(b)j等分别满足一定的条件,则态|Ψ(ab)Ⅱ〉q的第一和第二正交分量总可分别呈现出周期性变化的等阶N次方H压缩效应.2) 当qN=2p且p=2m+1(m=0,1,2,3,…,…)时,若构成态|Ψ(ab)Ⅱ〉q的两个不同的量子光场态中各对应模的强度(即平均光子数)和初始相位相等,亦即R(a)j=R(b)j和φ(a)j=φ(b)j(j=1,2,3,…,q),则态|Ψ(ab)Ⅱ〉q可呈现出"等阶N次方H压缩简并"现象     

用高压显微光谱系统研究非晶态As2S3的光学折射率随流体静压力变化的规律

用金刚石对顶砧高压显微光谱系统在高达66kbar的流体静压力和光谱波段为400—900nm范围内,用透射光干涉谱法测量了非晶态As₂S₃(a-As₂S₃)的光学折射率n与压力p以及波长λ的变化关系。a-As₂S₃的折射率对压力极为敏感,在波长为650nm,压力从1bar变到66kbar时,它增加35％。在计算机上用最小二乘法对实验点进行拟合的结果得到:对某一波长λ来说,遵循n(P)=n(0)+Ap+Bp²的非线性关系。其中n(p)和n(0)是p压和常压下的折射率,A和B是与波长有关的系数,文中给出了A和B的具体参数。这个关系与Weinstein和Galkiewicz等人公布的n(p)和p之间遵循线性关系不同。 关键词：     

用~(58)Ni(n,p)~(58m+g)Co和~(58)Ni(n,2n)~(57)Ni反应的截面比定平均中子能量

本文叙述了用两个硅半导体探测器和~(58)Ni(n,p)~(58g+m)Co与~(58)Ni(n,2n)~(57)Ni反应截面比定D-T中子的平均能量的方法,得到了该截面比与中子能量的关系曲线并与所引文献中的结果进行了比较.     

态|Ψ_n~((2))〉_q的广义非线性等阶N次方H压缩效应

构造了一种新型的多模叠加态 |Ψ(2 )n 〉q=C(R)n |{ -i Z*j }〉q+C(0 )n |{ 0 j}〉q;并首次详细地研究了此量子态的等阶 N次方 H压缩特性 .大量的计算和分析表明 :态 |Ψ(2 )n 〉q是一种多模典型的非经典光场 ;还发现了“相似压缩”等现象     

氦原子自旋-自旋相互作用精细结构参数的理论计

利用多电子原子的精细结构哈密顿算符的球张量形式,通过计算氦原子的自旋-自旋相互作用哈密顿算符在|LSJMJ〉表象中的矩阵元,导出了氦原子的自旋-自旋相互作用精细结构参数的理论计算式,并就氦原子(n1s)(n2p)组态具体计算参数B之值.     

Partial-Wave Decomposition for Meson-Exchange Currents in Few-Nucleon Systems

 We develop an approach for calculating matrix elements of meson-exchange current operators between three-nucleon basis states in -coupling and a three-nucleon bound state. The contributions generated by π- and ρ-exchanges are included into the consideration. The matrix elements are expressed in terms of multiple integrals in momentum space. We apply a technique of partial-wave decompositions and carry out some angular integrations in closed form. Different representations appropriate for numerical calculations are derived for the matrix elements of interest. The momentum dependences of the matrix elements are studied and benchmark results are presented. The approach developed is of interest for investigations of deuteron-proton radiative capture and ³He photo- and electrodisintegration when the interactions in the initial or final states are taken into account by solving the Faddeev equations. Received April 2, 1999; accepted for publication December 30, 1999     

多电子原子能量的相对论修正

以Breit-Pauli哈密顿的球张量形式为基础,借助不可约张量理论,建立了计算多电子原子能量的相对论修正的一种解析理论形式,导出了多电子原子相对论修正项(包括相对论质量修正项、单体和双体达尔文修正项、自旋-自旋接触相互作用项和轨道-轨道相互作用项)在斯莱特表象中的矩阵元的解析表达式,完成了所有角向积分和自旋求和计算.利用所建立的理论,对类锂体系(1s)2(2p)2P态能量的相对论修正进行了具体计算.     

An expansion of Hartree-Fock and correlation energies,relativistic corrections and the dipole matrix element in the powers of of 1/Z

Feynman diagrammatic technique was used for the calculation of Hartree-Fock and correlation energies, relativistic corrections, dipole matrix element. The whole energy of atomic system was defined as a polen-electron Green function. Breit operator was used for the calculation of relativistic corrections. The Feynman diagrammatic technique was developed for 〈H_B>. Analytical expressions for the contributions from diagrams were received. The calculations were carried out for the terms of such configurations as 1s² 2sⁿ¹ 2pⁿ² (2 ≧n₁≧ 0, 6≧ n₂ ≧ 0). Numerical results are presented for the energies of the terms in the form $$E = E_0 Z^2 + \Delta {\rm E}_2 + \frac{1}{Z}\Delta {\rm E}_3 + \frac{{\alpha ^2 }}{4}(E_0^r + \Delta {\rm E}_1^r Z^3 )$$ and for fine structure of the terms in the form $$\begin{gathered} \left\langle {1s^2 2s^{n_1 } 2p^{n_2 } LSJ|H_B |1s^2 2s^{n_1 \prime } 2p^{n_2 \prime } L\prime S\prime J} \right\rangle = \hfill \\ = ( - 1)^{\alpha + S\prime + J} \left\{ {\begin{array}{*{20}c} {L S J} \\ {S\prime L\prime 1} \\ \end{array} } \right\}\frac{{\alpha ^2 }}{4}(Z - A)^3 [E^{(0)} (Z - B) + \varepsilon _{co} ] + \hfill \\ + ( - 1)^{L + S\prime + J} \left\{ {\begin{array}{*{20}c} {L S J} \\ {S\prime L\prime 2} \\ \end{array} } \right\}\frac{{\alpha ^2 }}{4}(Z - A)^3 \varepsilon _{cc} . \hfill \\ \end{gathered} $$ Dipole matrix elements are necessary for calculations of oscillator strengths and transition probabilities. For dipole matrix elements two members of expansion by 1/Z have been obtained. Numerical results were presented in the form P(a,a′) = a/Z(1+τ/Z).     

Integrals of Vertex Operators and uantum Shuffles

Given a braided vector space , we show that iterated integrals of operator-valued functions satisfying a certain exchange relation give rise to representations of the quantum shuffle algebra built on . Using the quantum shuffle construction of the 'upper triangular part' of a quantum shuffle, this provides a simple proof of the result of Bouwknegt, MacCarthy and Pilch saying that integrals of vertex operators acting on certain Fock modules give rise to representations of .     

Degeneracies in trapped two-component fermi gases

We report on previously unobserved intersystem degeneracies in two-component equal-mass Fermi gases with interspecies zero-range interactions under isotropic harmonic confinement. Over the past 10 years, two-component Fermi gases consisting of n_{1} spin-up and n_{2} spin-down atoms with interspecies zero-range interactions have become a paradigm for modeling condensed matter systems, nuclear matter, and neutron matter. We show that the eigenenergies of the (n_{1}+1,n_{2}-1) system are degenerate with the eigenenergies of the (n_{1},n_{2}) system for any s-wave scattering length a_{s}, including infinitely large, positive, and negative a_{s}. The existence of the intersystem degeneracies is demonstrated explicitly for few-body systems with n_{1}+n_{2}=4, 5, and 6. The degeneracies and associated symmetries are explained within a group theoretical framework.     

The Hybrid Diabatization Method and Its Application to the CaH Quasi-Molecule

A procedure for diabatization of quantum-chemical data is proposed that allows one to surmount the problem of -shaped peaks of nonadiabatic matrix elements \( < j|\frac{\partial }{{\partial R}}|k > \) by passing to a hybrid diabatic representation of a system of coupled channel equations of nuclear dynamics with the use of model nonadiabatic matrix elements that approach initially specified matrix elements. Results of the application of this method within the framework of the Landau–Zener model are presented for the example of the CaH collision system.     

Pd2团簇结构与能级分布的理论研究

在相对论有效原子实势(RECP)近似下,用密度泛函(B3LYP/SDD)方法,计算Pd2及其±1价和±2价分子离子的结构,光谱性质和能级分布.最后讨论了最高占据轨道(HOMO)与最低空轨道(LUMO)之间的能级间隙(HLG),分析了团簇的化学活性.