极化率

结合有限场（FF）方法计算了各体系的极化率和二阶超极化率。

The polarizability and and second-order hyperpolarizability were calculated by means of finite-field ( FF ) method .

用基组展开和解析求导的方法精确计算Be原子SCF水平的极化率和超极化率。

In the present work the polarizability and the hyperpolarizability of Be atom are obtained at the SCF level with basis-set expansion and analytic derivation method .

C（36）富勒烯氮杂环衍生物的分子第一超极化率理论研究

Theoretical Study on the Molecular First Hyperpolarizability of the C_ ( 36 ) Fullerene Derivatives With Nitrogen Heterocycle

在H位Mn掺杂体系中获得了95%的自旋极化率。

A high spin polarization of 95 % is achieved due to the H site doping .

硼氮掺杂富勒烯C（34）BN的分子第一超极化率理论研究

Theoretical Study on the Molecular First Hyperpolarizability of B and N-Doped Fullerene C_ ( 34 ) BN

运用超瑞利散射（HRS）方法对PNA分子在不同溶剂中的一阶超极化率进行了实验研究。

First hyperpolarizabilities of PNA in different solvents have been studied by the hyper-Rayleigh scattering ( HRS ) technique .

ABINITIO研究尿素分子的非线性光学极化率

Ab initio Study of Nonlinear Optical Properties of Urea

在理论上研究了∧型三能级原子系统raman跃迁中的线性和非线性极化率。

We report a theoretical study of linear and nonlinear susceptibilities of Raman transition in a Λ - type three-level atomic system .

不同晶系中二阶非线性极化率及SHG信号的研究

The second order nonlinear susceptibility and SHG signal in the different system

而Fe吸附在Graphene表面使其呈现半金属性，自旋极化率为100%。

For Fe adsorbed on the graphene surface , the system is semi-half-metallic and the spin polarization P is found to be 100 % .

求解了Dressed原子对两个频率探测光的极化率，研究了Dressed原子中的位相共扼波的产生和特性。

The susceptibility of the dressed atoms to two probe beams is deduced . The generation and characteristics of the phase conjugation wave in dressed atoms are studied .

实验结果表明PNA分子在不同溶液中的一阶超极化率随着溶孔极性的增强而增加。

Experimental results show that the first hyperpolarizabilities of PNA increase with the increase of the solvent polarity .

r系数值较大说明π-π作用对溶质的保留贡献较为明显，说明该新固定相对高极化率溶质如稠环芳烃具有较高的选择性。

The coefficient is small and positive showed the new phase has bigger π - π interaction to solutes than that of all ( other ) phases , and relatively high selectivity to polyaromatic hydrocarbons .

本文采用新的试探波函数，对于关闭在半径为r0球壳内的类氢原子模型，计算了其能量和极化率随球壳半径r0和相应压强的变化规律。

The energy and polarizability of a model hydrogen-like atom limited in a spherical shell of radius ru are calculated using new trial wave-function . The energy and polarizability are obtained as functions of the radius ru and corresponding pressure p.

四氧化三铁（Fe3O4）是典型的半金属材料，它是室温测量条件下自旋极化率最高的半金属材料，极化率高达84%，而且具有高达860K的居里温度。

Fe_3O_4 is a kind of classic half-metallic material . It has the highest spin polarization about 84 % measured in room temperature and provides Curie temperature with 858K .

由于氟是强电负性元素，氟化键具有低的极化率，可以降低介电常数，因而氟化类金刚石薄膜可以在微电子器件中用作低k介质材料；

Because the fluorine element is strong negative-dielectric and the fluorinated chemical bonds have low dielectric polarizability and may reduce the films dielectrics constant , the fluorinated diamond-like carbon films may be used for low k dielectric material in micro-electronic device .

用ZINDOSOS方法对分子的电子光谱，三阶非线性极化率进行了计算。

The electronic spectrum and the third order nonlinear polarizability of this supramolecule were examined by ZINDO SOS method .

组织组成物的阳极性能良好，在浓度为3.5%的NaCl介质中，当w（Mg）从1%提高至30%时，进入稳定状态的开路电位从-0.79V负移至-1.18V，阳极极化率亦降低。

When the Mg contents were increased form 1 % to 30 % , the open potential of Al-Mg anodes was reduced form-0.79 V to-1.18 V in 3.5 % NaCl solution , and the polarization rate was also decreased .

采用FMG方法计算半导体量子盒中氢原子的极化率

The Calculation of Polarizability of Hydrogen Atom in Semiconductor Quantum Box by Using FMG Methods

高密度碳氢大分子基团的存在降低了薄膜密度，结合薄膜中形成的本构孔隙、低极化率SiC键以及OH键减少的共同作用，导致薄膜介电常数的降低。

The decrease of dielectric constant is induced by the combined action of several factors : lower density of films caused by high density of CH_n fragments and formation of intrinsic pores , lower polarization caused by the formation of Si-C bond and decrease of-OH bonds .

在77～300K的温度范围内，对自旋散射长度、自旋极化率等自旋极化输运特性进行了研究。

Spin-polarized properties , including the spin scattering length and the spin polarization , are investigated at the temperature ranging from 77 to 300K .

完成系统原理图、PCB设计和焊接调试工作；第二、完成对各模块的调试工作和基本驱动程序编写；第三、完成极化率计算方法研究以及软件编写。

Complete system schematic , PCB design and welded debugging ; second , the completion of commissioning of each module and the basic driver programming ; the third to complete the calculation of susceptibility as well as software preparation .

基于电磁感应透明过程中非线性极化率增强理论，推导了在紫翠宝石晶体中基于原子在禁戒跃迁能级间的最大相干性频率下转换产生THz波的理论。

The theory of THz-wave generation from maximal atomic coherence between energy levels which are forbidden transition in alexandrite is deduced based on the enhancement of nonlinear polarizability in the process of electromagnetically induced transparency .

采用溶胶－凝胶制备工艺，得到了尺寸为3～6nm的分散在二氧化硅凝胶玻璃中的硫化镉（CdS）半导体微晶，观测了其吸收光谱和荧光光谱，以及三阶非线性光学极化率。

CdS crystallites of 3 ~ 6nm in size dispersed in silica gel glass are obtained through sol-gel process . The quantum size effect and nonlinear optical effect are observed .

采用高自旋极化率（P）的材料是产生大的隧穿磁电阻（TMR）效应的关键之一，而半金属（half-metal）铁磁材料的自旋极化率P理论上可达100%。

However , the large tunneling MR effect is strongly dependent upon electrode material , which is of high spin polarization . On the other hand , half-metallic material is theoretically predicted to be perfect spin polarization , nearly 100 % .

在此基础上用TDHF方法计算了分子的线性极化率、一阶和二阶超极化率。

The linear polarizabilities , the first-and second-order hyperpolarizabilities of these squaraines were calculated using TDHF method .

本论文主要对InxGa（1-x）N/GaN量子阱中的三阶非线性极化率进行了研究，并探讨了由于晶格失配造成的内建压变电场对量子阱中光学非线性极化率的影响。

The study focused on the third-order nonlinear susceptibilities x ~ ( 3 ) in In_xGa_1-xN / GaN quantum well , and also included the influence of built-in piezoelectric on the nonlinear susceptibilities .

半金属（half-metallic）铁磁体有着较高的居里温度和接近100%的高自旋极化率，因此，它无疑将会成为理想的半导体自旋电子注入源。

Half-metallic ferromagnet has a higher Curie temperature and almost 100 % spin-polarization . Therefore , it will become the perfect spin injection fountain to semiconductor .

除此之外，EIT还可使介质的非线性光学极化率显著增强，使其色散性质产生重大改变，从而导致很强的非线性光学效应并可使探测光场的群速度大为减慢。

In addition , EIT can results in a significant enhancement of nonlinear optics susceptibilities , the large change of dispersion property , which result in strong nonlinear optical effect and the reduction of probe-field group velocity .

并通过分析轨道能量、前线轨道电荷密度、电荷分布、分配系数lgP、极化率Polar等量化参数与缓蚀效率的关系，进一步阐明了药剂的缓蚀作用机理；

And clarified the inhibiting mechanism farther by analyzed the correlation between the inhibition efficiencies and some quantum chemical parameters , such as orbital energy , charge density of frontier orbital , charge distribution , distributive coefficient , polarizability ;