自洽
- 网络self-consistent;consistency;SCF;self consistent
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[self-consistent] 自相一致的
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自洽场
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自洽解
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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
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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
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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 .
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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
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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
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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
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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 .
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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
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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 .
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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 .
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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 .
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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 .
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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 .
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~(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
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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 .
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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 .
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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 .
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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 .
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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 .
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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 .
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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 .
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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 .
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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 .
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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 .
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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 .
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EHMO的碳&碳键长自洽计算
EHMO self-consistent calculations of carbon-carbon bond lengths
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离子型分子的电荷自洽EHT计算
The calculations of ionic molecules by charge self-consistent eht
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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 .
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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 .
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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 .