相关能

实例计算表明，本文提出的这个变分MonteCarlo新算法对于小分子能得到大约81%～99%的相关能。

Sample calculations show that the variational Monte Carlo method employing present algorithm can recover about 81 % ~ 99 % of the correlation energy for small molecules .

而在DFT与HF混合处理中得到的相关能比HF相关能（绝对值）要小，两者之差相当于稳态相关能。

Meanwhile , the correlation energy calculated by the hybrid approach of DFT and HF is smaller than the HF value in magnitude , the difference being explained by the stationary correlation energy .

几种含芯电子相关能修正的G2和G2（QCI）方法

Core Electronic Correlation Modifications to G2 and G2 ( QCI ) Theories

含芯电子相关能修正的G2理论&G2（ful）

Core Electronic Correlation Modification of the Gaussian-2 Theory ── G2 ( fu1 )

密度泛函理论与Hartree-Fock方法&混合处理中的稳态相关能校正

Stationary Correlation Energy in the Hybrid Approach of Density Functional Theory and Hartree - Fock Method

在U，W，J都是正值时，计算了顺磁相的相关能，局域磁矩和反铁磁极化。

Calculation are made for paramagnetic correlation energy ( E_ ( Corr )), local magnetic moment ( S_m ) and antiferromagnetic polarization ( P_L ) incase U , W and J are all assumed as positive values .

采用Hartree－Fock自洽场方法计算双电子抛物型量子点系统的基态能，并对相关能随量子点强度因子的变化关系进行了讨论。

Calculates the ground state energy of two electron parabolic quantum dot system by using the Hartree Fock self consistent method , discussed the variable relation between the correlation energy and strong factor of quantum dot .

铍原子基态交换-相关能的多体理论计算

Atomic many-body calculations on the ground state exchange-correlation energy of beryllium atom

芯电子相关能的修正在精确计算中是十分必要的。

Core electronic correlation is necessary for accurate calculations .

此方法为原子物理中相关能的计算提供了可靠的理论模型。

Hartree method provides a theoretic model for calculating the correlated energy of atomic physics .

分子的相关能对分子的激发态能量影响较大。

The effect of the electron correlation on the energies of excited states is obvious .

相关能的理论计算及分子体系相关能的近似计算法

The Theoretical Calculation of the Correlation Energy and the Approximative Calculation of the Molecular Correlation Energy

在电子密度中，可以假定存在一种能产生交换相关能的非局域空穴。通过该假定可将存在于局域密度理论中的电子自相互作用消除。

The electron self-interaction present in local-density theory can be removed by assuming a nonlocal hole in the electron density to generate the exchange-correlation energy .

结果表明，缺陷态分布随光照时间向能隙深处移动，相关能增加。

The results indicate that the metastable defects shift toward to the deep of the gap and correlation energy increases with the light illumination time .

SFVMC方法的4级能量值和5级能量值其相关能百分率可分别达到80%和90%以上。

The correlation energy percentages of the fourth order energy and the fifth order energy are above 80 % and 90 % by surplus function variational quantum Monte Carlo approach , respectively .

实验结果表明，对于广泛存在的真实纹理，邻域子块的相关能更好地描述纹理的特征，合成出视觉效果上更优的输出纹理。

Experimental results indicate that , for extensively existed real textures , coherence of sub-patches can better express the textural characteristics and the algorithm can synthesize more satisfactory output texture on the visual effect .

利用文献〔1〕提出的计算电子相关能方法，考虑到分子间相互作用时电子的相关效应，提出一种计算分子间相互作用势的新方法，并且计算了He－He相互作用势。

Making use of the method for calculating electronic correlation energy in reference , with considering electronic correlation effect , we propose a new method to calculate interactive potential between molecules , and calculate the potential of He He .

量化计算方法是研究分子能级结构及特性的重要手段，其关键是计算势能曲面，而势能曲线的精度取决于相关能的计算。

Quantum Chemical calculation method is one of the most important ways to study the energy level structure and other properties of molecules . It is based on the calculation of the molecular potential energy curves or surfaces whose accuracy depends on the calculation of the correlation energy .

计算的四唑环芳香性指标、环上的净电荷和分子的电子相关能均显示1,1′DM5,5′AT具有较好的热稳定性，理论研究得出的结论与实验结果一致。

Calculated aromaticity index , net charge in the ring and relation energy of electron show that the thermal stability of 1,1 ′ - DM-5,5 ′ - AT is better than 2,2 ′ - DM-5,5 ′ - AT . The theoretical analysis conclusion is in accord with the experiment result .

最后论文给出了本次X射线能谱测量的探讨结果，并对未来相关的能谱测量工作进行了展望。

Finally , discussion result of this X-ray spectrum measurement is given and the related spectrum measurement work in the future is prospected in this paper .

首先，本文通过对HELP算法的深入分析，根据语音信号谐波相关程度能反映浊音度强弱的性质，开发了一种基于最小均方误差准则的谐波相关浊音度参数提取方法。

First , after deeply investigating HELP model , a harmonic related voicing detection algorithm based on MSE criterion is developed , with the knowledge that voicing algorithm can be showed by degree of harmonic relation .

PPD免疫小鼠胸腺内降钙素基因相关肽能神经纤维的可塑性

Plasticity of calcitonin gene-related peptidergic nerve fibers in the mouse thymus following PPD immunization

NET平台为开发环境，从系统基础结构、相关使能技术等方面阐述了对钣金展开设计系统的开发方法。

NET platform , the development method on sheet metal unfolding system is presented , and various issues are discussed from the aspects of system structure , the relative enabled technologies and so on .

仿真结果表明：（1）在定时同步算法中，基于OFDM的延时相关算法能准确的定位出跳频OFDM符号的起始位置。

The simulation results show that : ( 1 ) in the timing synchronization algorithm , based on OFDM delay correlation algorithm can accurately locate the starting point of a symbol .

实验结果表明，EMD应用于虹膜纹理分析中有着不俗的表现，本文相关算法能有效应用到实际需求中。

The experimental results show that EMD used in the iris texture analysis has a good performance . And the algorithm proposed can be effectively applied to practical demands .

将病毒通过肌注途径对7周龄NOD小鼠进行治疗，GAD抗原肽抗体通过腺相关病毒能有效地降低NOD小鼠糖尿病的发病率。

Injecting these AAV into muscle in NOD mice in 7 weeks . The results show that GAD-grafted IgG can decrease the incidence of diabetes in NOD mice .

除了相关企业能获得的一些真实或预想的益处外，ECMA标准相对与ISO标准的一个好处就是，可免费获得。

In addition to whatever real or perceived benefits that corporations get , ECMA standards have the advantage over ISO in that they are freely available .

“在这件事完成之后，我们才能向前推进，我们希望相关条件能被爽快接受，”imf代理总裁约翰利普斯基（johnlipsky）在一个新闻发布会上表示。

" That needs to be done before we can move forward and we are hopeful the conditions can be met with alacrity , " John Lipsky , the acting head of the IMF , said at a news conference .

根据事物特性表原理及主文档技术，介绍了一种面向工艺重用的CAPP系统构建方法及相关使能技术，并采用本体技术，构建了CAPP领域信息层次结构模型。

Based on principles of tabular layouts of article characteristics and the technique of master documents , an ideology and technologies of process reuse for developing CAPP system were introduced . The information hierarchy model of CAPP system was constructed based on ontology and knowledge management .

这确保了所有相关团体能积极主动地参与项目。

This ensured that all interested parties had an active participation in the project .