自洽

短周期（Ge）n（Si）n应变超晶格电子结构的自洽赝势计算

Self-consistent Pseudopotential Calculation of the Electronic Structures of Short-period ( Ge ) _n ( Si ) _n Strained Superlattices

关于稀磁合金磁学性质的自洽BL方法

On the Self-Consistent BL Method of Magnetic Properties of Diluted Alloys

由此得到的新自洽方程能合理地描述纳米量级Al粒子的超导电性。

And the new equation can describe superconductivity of Al nano-particles .

关于Xα-SW自洽计算中原子半径的确定

On the method of atomic radius determination in scf-x_ α - sw calculation

H在Al（111）面上吸附的多重散射Xα自洽计算

SW - x_a-scf method calculation for Hydrogen Chemisorption on al ( 111 ) surface

在二维原子自洽场计算中的Gaussian函数展开方法

The Gaussian function expansion method of atomic self-consistent-field computations in two dimensions

着重分析讨论了引入受主杂质Mn对材料的半导化的影响，并采用复合缺陷模型自洽地解释了实验现象。

A complex-defect model was adopted to explain the explain the experimental results well .

Mo、Co主要分布在籽粒中；半经验CNDO自洽场分子轨道法在共价半导体研究中的应用

Applications of Semiempirical CNDO SCF MO to Covalent Semiconductors Studies

在量子力学里把单粒子态空间定义为Hilbert空间（H空间），由此导致理论本身不自洽。

It has brought about self-contradictions of quantum mechanics to define the state space of one-particle as Hilbert space .

利用多重散射Xα自洽场方法研究了H在Al（111）表面吸附的桥位和顶位模型。

The chemisorptions for H / A1 ( 111 ) with bridge site and top site models are studied by SCF-X_a scattered wave method .

以椭圆波导、平板摇摆器为FEM放大器的模型，导出了自洽的注波互作用三维非线性方程组。

A set of coupled nonlinear three-dimension differential equations for the FEM amplifier with elliptical wave-guide and planar wiggler is derived .

应用考虑重叠修正项多重散射Xα自洽场方法，详细研究其重叠修正项对过渡金属配合物分子的价电子轨道的影响。

The influence of the overlapping term on the valence molecule orbitals of transition-metal complexes is studied with the assistance of improved MS-X method .

在弱电场（E≤10~4V/m）的条件下，这三种方法得到的结果与非自洽法的结果比较接近。

Unber the condition of the weak electric field E ( E ≤ 104V / m ) , the results obtained by those methods and non-self-consistent method are nearer .

~（208）Pb及其同位素基态性质的Hartree-Fock及自洽半经典研究

Hartree-Fock and Self-consistent Semiclassical Approaches to the Properties of ~ ( 208 ) Pb and its Isotopes

用电荷自洽的EHMO方法研究了Al在GaAs（110）面上的吸附问题。

The chemisorption of Al on the GaAs ( ll0 ) surface is studied by using the charge self-consistent EHMO method .

用重叠球自洽场Xα多重散波法和从头算法对卤化硼的电子能谱作了计算和注释，所得结果与实验结果符合得相当好。

Photoelectron spectra of boron halides have been calculated by overlapping sphere SCF-X_a-SW and ab initio method . Results of the present work are in good quantitative agreement with experimental results .

应用自行编制的电子注-波互作用的自洽非线性模拟程序，我们对Ka波段二次谐波回旋速调管放大器的注-波互作用进行了研究。

The beam-wave interaction of a designed Ka-band second harmonic gyroklystron amplifier is studied by using a self-consistent nonlinear simulation program .

利用自洽迭代数值计算方法，对多发射极微波功率SiGeHBT芯片热电耦合特性进行了模拟和分析。

Electrical-thermal couple effect of multi-emitter microwave power SiGe HBT is numerically studied ( using ) self-consistency iterative method .

在聚合物凝聚态物理理论中，自洽平均场理论（Self-ConsistentMeanFieldTheory，SCMFT）是在平均场层次上，最为系统、最为准确的理论之一。

In condensed matter physics , the self-consistent mean field theory ( SCMFT ) is one of the most accurate and most systematic theories on the mean-field level .

我们对硅中IB族杂质Cu，Ag和Au的单粒子电子结构用自洽的Xα-SW法作了计算。

The single-particle electronic states of group-IB impurities , Cu , Ag and Au , in silicon are calculated by use of the self-consistent field scattered-wave Xa method .

最后，我们也是用自洽反应场模型，在B3LYP/6一311十十G（d，P）水平上研究了溶剂效应对甘氨酸一水络合物的势能面的影响。

Finally the solvent effects on the geometries of the glycine-water complexes have also been investigated using self-consistent reaction-field ( SCRF ) calculations at the B3LYP / 6-311 + + G ( d , p ) level .

作者在处理首都圈GPS地形变监测网数据的过程中，经过长期探索和大量试算，提出了制定数据处理方案的基本原则：要采用一个自洽的地球参考框架和常数系统；

In processing the data from Capital circle GPS crustal deformation monitoring network , the authors have proposed basic principles for making data processing program through long term explorations and large amounts of calculations .

根据载流子分布的连续性，由泊松方程自洽求解，得出了半导体n~-－n结势垒分布的计算方法。

In this paper , according to the continuity of carrier profile , a method of calculating the carrier profile of a semiconductor n & n junction has been obtained , by solving the Poisson equation self-consistently .

CME传播所需的背景结构是采用时间松弛方法计算得到的，这保证背景结构是自洽和稳定的。

Background structure for CME propagation is obtained by the time relaxation method , which guarantees it stable and self-consistent .

本文采用自洽的格林函数方法和复能积分技术研究了卤素原子在NaCl离子晶体表面上的化学吸附。

The Green 's self-consistent function method and the technique of complex ener - gy integration are used to study halogen atoms chemisorption on the NaCl ionic crystal .

EHMO的碳&碳键长自洽计算

EHMO self-consistent calculations of carbon-carbon bond lengths

离子型分子的电荷自洽EHT计算

The calculations of ionic molecules by charge self-consistent eht

建立了改型wiggler自由电子激光的非线性理论，导出了自洽非线性方程组。

We have investigated the nonlinear theory of the modified wiggler free-electron laser and deduced a set of nonlinear self-consistent equations .

将上述夹杂问题的解和HILL自洽方法相结合，给出了考虑晶界滑错效应的金属多晶体弹塑性响应。

Lastly , by the use of the Hill 's self-consistent method taking due consideration of the above solution , the influence of the grain boundary on the elastic-plastic deformation of polycrystal may be obtained .

应用电荷自洽离散变分Xα方法（SCCDVXα）和动力学实验，研究了酸碱催化剂对羰基化合物离子型反应的催化活性。

The catalytic activity of the carbonyl compound catalyzed by acids and bases had been investigated by self consistent charge discrete variation ( SCC DV X α) method and homogeneous kinetics measurements .