量子态

Within the framework of the effective-mass approximation, hydrogenic impurity states confined in a cylindrical zinc-blende GaN/AlxGa1-xN single quantum dot are investigated by means of a variational approach.

在有效质量近似下，用变分法研究了闪锌矿GaN/AlxGa1-xN单量子点中的类氢杂质态。

The ground-state energy and the average number of virtual phonons around the electron of a hydrogenic impurity confined in a parabolic quantum dot are calculated using the squeezed-state variational approach,which is based on two successive canonical transformations and uses a displaced-oscillator type unitary transformation to deal with the bilinear terms,which are usually neglected.

李伟萍 内蒙古赤峰学院物理与电子信息工程系，赤峰 024000肖景林内蒙古民族大学物理与电子信息学院，通辽 028043采用基于逐次正则变换的变分方法，利用单模压缩态变换处理包含声子产生湮灭算符的双线性项，研究了抛物量子点中束缚极化子的性质。

Phosphorus generation fully originates from reduction reaction of hypophosphorous during EN process.

利用量子化学软件高斯03(G03)分子轨道理论中的从头计算法，计算了次亚磷酸在还原过程中可能的中间产物和过渡态的振动频率和总能量。

Results are summarized as follows:(1) The absorption property of CdSe nanoparticle colloid under magnetic field was investigated by magnetic circular dichroism measurement, which proved the discrete energy states in CdSe nanoparticles due to size confinement effects.(2) Aggregation of small nanoparticles was usually observed under HRTEM measurements. In order to obtain HRTEM images of well dispersed particles, surfactant molecules were assembled on the surfaces of mercapto acetate stabilized CdSe nanoparticles.

主要内容如下：（1）用磁圆二色吸收谱测试研究了CdSe纳米颗粒的水溶胶在磁场中的吸收性质，验证了CdSe纳米颗粒中由于量子限制效应而存在的分立的能态；（2）用高分辨透射电镜观察到纳米颗粒的团聚，在颗粒表面接枝上含长链烷烃的表面活性剂分子，使颗粒有效的分散，解决了纳米颗粒团聚的问题。

These free radicals come from the metaboly of food and breath.

人体的每个细胞每天受到约10000次的自由基攻击，这些自由基来源于食物和呼吸的代谢，自由基的攻击方式严格遵循量子与正态分布原理，攻击的损伤程度取决于细胞营养状况、人体酸碱度等物理、化学状况。

It requires nonconventional methodologies and strategies for Quantum chemistry to treat excited states, especially for the excited states that have the same spin multiplicity as the ground state and has no symmetry.

利用量子化学方法计算分子的激发态需要非常规的方法和策略，特别是对那些具有与基态相同的自旋多重度而又没有任何对称性的分子的较高激发态。

When two particles couple themselves in a singlet at short distances (one with spin up and one with spin down) the new nonlinear, nonlocal and nonpotential forces due to deep wave-overlappings are so attractive to overcome possible repulsive Coulomb forces, and permit new bound states at short distances which simply cannot be conceived - let alone treated - by quantum mechanics and chemistry.

当两个粒子在很小的作用距离内相互偶合成为零自旋态〔一个上旋而另一个下旋〕，深深重叠在一起的波导致新型的非线性、非局部和非潜势力的引力大到得以克服相互排斥库伦力，允许很小相互作用距离内的一种新的限制状态。量子力学和量子化学无法考虑，更不用说去处理，这种新的限制状态。

In this paper, high-level quantum chemistry calculation methods are used to theoretically investigate basic configuration, conformers, torsion potential energy surface and internal rotation transition state of oxalic acid and oxalyl halides.

第三章采用量子化学的MP2、B3LYP、HF计算方法在6-311++G~水平上，对草酸可能存在的十三种构型进行完全放开的全几何优化及振动频率分析，得到八种稳定构型和五种内转动过渡态构型。

FeSi nanoparticles were synthesized via thermal decomposition of iron pentacarbonyl in the solution of dioctyl ether, stabilizers oleic acid and oleylamine. The TEM images showed that FeSi nanoparticles had cubic shape, but it seemed that the composition was not uniform. According to the EDS results, the Fe:Si ratio of gray-uniform nanopaiticles was almost 1:1, and blacker FeSi nanoparticles contained more Fe atoms. Although FeSi didn't have uniform structure, it still could be proved that the incorporation of Fe and Si existed in a single nanoparticle. All possible structure, lattice, binding, morphology, surface condition would be discussed. These results indicated that perhaps FeSi2 was the main structure of the new products; however, due to incompletely combination and less synthesized time, it might still contain some part of Si and Fe structure. Besides, FeSi nanoparticles preserved the optical properties from Si atoms, but the PL intensity was much lower. The maxima PL peak appeared at 388 nm with the excitation at 300 nm. Their saturation magnetization, remanent magnetization and coercivity were measured by the SQUID, exhibiting their nearly superparamagnetic behavior.

利用热裂解系统可成功将研磨矽奈米粒子及五羰铁结合，制备出铁矽奈米粒子；从穿透式显微镜照片可知其粒子呈现立方体型态，但颜色深浅及组成不均，EDS结果则显示颜色均匀之粒子铁与矽之组成大致为1：1，颜色较深之粒子则含有较高量的铁元素；尽管组成比例并不统一，但单颗粒子同时含有矽与铁两种元素，初步说明铁矽奈米粒子之形成；进行多种结构与表面分析并探讨所有可能之键结、结构及表面元素后，推测铁矽奈米粒子可能以FeSi2之结构形成，并同时包含未重组完成的矽及铁之结构；利用PL分析得知铁矽奈米粒子确实保留矽之放光特性，并在300 nm激发光源下，於波长388 nm处有一最强放光特性峰，但整体发光效益不及研磨矽奈米粒子之结果；最后，利用超导量子干涉磁化仪量测其饱和磁化量、残留磁化量、与矫顽磁力，发现磁滞现象并不明显而几乎呈超顺磁性。

The theory of Quantum Chromo-Dynamics, which describes the strong interactions, has two different vacuum states—perturbative vacuum and physical vacuum.

强相互作用的基本理论量子色动力学有微扰真空和物理真空两种不同的真空态，带色的夸克和胶子不能在通常的物理真空中运动，而只能被禁闭在色中性的强子中。

Breath, muscle contraction of the buttocks; arch body, as far as possible to hold his head, right leg straight towards the ceiling (peg-leg knee in order to avoid muscle tension).

呼气，收缩臀部肌肉；拱起身体，尽量抬起头来，右腿伸直朝向天花板（膝微屈，以避免肌肉紧张）。

The cost of moving grain food products was unchanged from May, but year over year are up 8%.

粮食产品的运输费用与5月份相比没有变化，但却比去年同期高8％。