非均匀外磁场下海森堡自旋链的热纠缠

研究了两量子比特海森堡XXX自旋链处于x方向的非均匀磁场时系统的纠缠特性,并用负度N来度量.得到N的解析表达式,并在此基础上进行数值计算.仔细讨论了均匀磁场B、非均匀磁场b、温度T和自旋耦合系数J对纠缠度N的影响.结果表明:N会随着■和T的增大而减小,但会随着J的增大而增大.同时,增大的J和b还会使临界磁场■和临界温度T_th变大,从而使系统中热纠缠存在的磁场范围和温度范围都变大.这一点在较大磁场和较高温度下需要纠缠具有实际意义.由此,我们可以通过调节B、b、T和J来控制热纠缠,这对固态系统中通过构建和选择参数调整系统的纠缠度具有一定的作用和意义.     

Entanglement in a two-spin (1/2,3/2) mixed-spin Heisenberg XX chain with an inhomogeneous external magnetic field

By using the concept of negativity, we investigate the thermal entanglement of a two-spin (1/2, 3/2) mixed-spin Heisenberg XX chain with an inhomogeneous external magnetic field. We obtain the analytical results of entanglement of this model. For the case of uniform magnetic field, we find that the critical temperature is higher than the results of the spin-1/2 chain and (1/2,1) mixed-spin chain. And by adjusting the nonuniform parameter b, one is able to obtain more entanglement at a higher temperature.     

Switching and Swapping of Quantum Information: Entropy and Entanglement Level

Information switching and swapping seem to be fundamental elements of quantum communication protocols. Another crucial issue is the presence of entanglement and its level in inspected quantum systems. In this article, a formal definition of the operation of the swapping local quantum information and its existence proof, together with some elementary properties analysed through the prism of the concept of the entropy, are presented. As an example of the local information swapping usage, we demonstrate a certain realisation of the quantum switch. Entanglement levels, during the work of the switch, are calculated with the Negativity measure and a separability criterion based on the von Neumann entropy, spectral decomposition and Schmidt decomposition. Results of numerical experiments, during which the entanglement levels are estimated for systems under consideration with and without distortions, are presented. The noise is generated by the Dzyaloshinskii-Moriya interaction and the intrinsic decoherence is modelled by the Milburn equation. This work contains a switch realisation in a circuit form—built out of elementary quantum gates, and a scheme of the circuit which estimates levels of entanglement during the switch’s operating.     

Quantum Teleportation Through a Two-Qubit Heisenberg XXZ Chain

We consider a two-qubit Heisenberg XXZ chain as a resource for quantum teleportation via the standard teleportation protocol To. The effects of anisotropic on teleportation fidelity and entanglement are studied in detail. We find anisotropic not only improves the criticM temperature Tc and criticM magnetic field Bc, beyond which quantum teleportation is inferior to classicM communication protocol, but also enhances the fidelity for fixed magnetic field B and temperature T. For entanglement teleportation, the effects of magnetic field on average fidelity and output entanglement are studied.     

极性分子摆动态的三体量子关联

极性分子具有较长的相干时间和较强的偶极-偶极相互作用,因此它被视为量子信息处理的有效量子载体.基于分子摆动态作为量子比特,研究了处于热平衡状态下三极性分子线性链系统的三体量子关联特性,分析了三体负性熵纠缠度、测量诱导扰动和三体量子失协随与电场强度、分子电偶极矩、分子转动常数、偶极-偶极相互作用和温度等参数有关的三个无量纲变量之间的变化关系.研究表明:在其他参数给定的情况下,随电场强度的增加,三体量子关联均变小;随偶极-偶极相互作用强度的增大,三体量子关联先增加到峰值再逐渐变小;温度越高,负性熵纠缠度和三体量子失协越小,但测量诱导扰动随温度的改变在电场强度和偶极-偶极相互作用影响下呈现不同的变化趋势.此外,通过调节电场强度、偶极-偶极相互作用和温度,可改变与操控极性分子摆动态的三体量子关联.     

Thermal entanglement in the mixed three-spin XXZ Heisenberg model on a triangular cell

We numerically investigate the thermal entanglements of spins （1/2, 1） and spins （1/2, 1/2） in the three-mixed （1/2, 1, 1/2） anisotropic Heisenberg XXZ spin system on a simple triangular cell under an inhomogeneous magnetic field. We show that the external magnetic field induces strong plateau formation in the pairwise thermal entanglement for fixed parame-ters of the Hamiltonian in the cases of ferromagnetic and antiferromagnetic interactions. We also .observe an unexpected critical point at finite temperature in the thermal entanglement of spins （1/2, 1） for the antiferromagnetic case, while the entanglement of spins （1/2, 1） in the ferromagnetic case and the entanglement of spins （1/2, 1/2） in both ferromagnetic and antiferromagnetic cases almost decay exponentially to zero with increasing temperature. The critical point in the en-tanglement of spins （1/2, 1） in the antiferromagnetic case may be a signature of the quantum phase transition at finite temperature.     

{Cu_3}单分子磁体在热平衡和磁场作用下的三体纠缠

本文研究了Na_9[Cu_3Na_3(H_2O)_9(α-As W_9O_(33))_2]·26H_2O(简记为{Cu_3})单分子磁体在热平衡和外加磁场作用下的三体纠缠性质,利用等效自旋模型和实验拟合参数,数值计算了{Cu_3}型三角自旋环中三体负性纠缠度(tripartite negativity).分别考虑沿垂直于三角自旋环方向的磁场、平行于三角自旋环方向的磁场,以及倾斜磁场的情形.结果表明,磁场的方向、大小以及温度对系统三体负性纠缠度有着重要影响.文中给出了在不同磁场方向下,临界温度随磁场强度的变化图,由此可以得到三体纠缠存在的参数区域.同时发现在特定的参数区域,该系统存在纠缠恢复现象.因此适当调节温度、磁场强度大小和磁场方向可以有效调控{Cu_3}型三角自旋环中的三体纠缠性质.     

Reduced parabolic model for radical addition reactions

The transition state of addition of free radicals and atoms to multiple bonds is considered as a result of intersecting of two parabolic potential curves. One of them characterizes the stretching vibration of the attacked multiple bond, and another curve characterizes the stretching vibration of the bond formed in the transition state. The force constant of the latter is calculated by an empirical equation that correlates the force constant with the bond dissociation energy. In the framework of this model, the thermally neutral activation energy (E _e0) and the elongation of the attacked and formed bonds (r _e) in the transition state were calculated from the experimental data (activation energy (E _e) and enthalpy of reaction (H _e)) for the addition of an H atom and methyl, alkoxyl, aminyl, triethylsilyl, and peroxyl radicals to the C=C bond and the addition of H and CH₃ to the C=O and CC bonds. Analysis of the data obtained showed that E _e0 depends linearly on the |H _e| + E_e sum, i.e., E_e0/kJ mol^–1 = 14.2 + 0.61 · (E_e – H _e), and the bond elongation in the transition state for addition of the most part of radicals to ethylene and acetylene vary within (0.65–0.87)·10_–10 m. The factors affecting the activation energy of the radical addition reactions are discussed.Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1542–August, 2004.     

萜类化合物13C NMR化学位移的定量构谱相关研究

利用原子电性作用矢量(Atomic electro-negativity interaction vector,AEIV)和原子杂化状态指数(Atomic hybridization state index,AHSI)对萜类化合物中的C原子进行结构表征并与其核磁共振碳谱(13C NMR)建立了优良的定量构谱相关(QSSR)模型.其中29个单萜类化合物中的290个C原子建模的计算值经留一法(Leave-one-out,LOO)交互校验(Cross-validation,CV)预测值的复相关系数(R)分别为0.9900和0.9867,进一步使用倍半萜、二萜、三萜化合物分子中65个C原子的13C NMR化学位移值来检测该模型的稳定性,模型预测值和观测值间复相关系数(R)为0.9777,取得了令人满意的结果.