查询词典 variational formulation

Using the first-principles self-consistent discrete variational method based on density functional theory, we investigated the effect of alloying element Mn on the electronic structure of the kink on the [100](010) edge dislocations in bcc iron. We calculate the structural energy, the interatomic energy, the local density of states and the charge density.

用基于密度泛函理论的自洽离散变分方法研究了合金元素Mn对bcc Fe中[100](010)刃型位错上扭折的电子结构的影响，计算了格位能、原子间相互作用能、电荷密度及态密度等物理参量。

In addition, some comparisons have been made between variational method and elastic theory method in this paper, proved the former to be a faster and efficiency method.

另外，本文还对变分法和弹性理论法在壁板桩中的应用进行了初步对比，二者结果相当，但是前者求解更加快速。

The total density of state of the the boron-rich rare-earth borides〓(R=La, Nd, Sm, Eu)are calculated using discrete variational X〓method.

计算所得到的态密度与XPS价带谱基本上相符，由于态密度与XPS价带谱的对应关系，表明计算结果的正确性。

Finally the effect of quantum lattice fluctuation in exciton state is studied by variational method.

论文的最后研究了量子晶格涨落对激子态的影响，通过对哈密顿量的幺正变换，得到激子态的激发能，对计算结果进行分析最后给出结论。

In this review we provide new application of variational transition state theory -inreaction at gas-solid interface ,with emphasis on dissociation absorption of gas-phase moleculeon the surface of face-centered cubic crystal.

提供了变分过渡态理论的新应用－用于气固界面上的反应，重点是气相分子在面心立方晶体上发生的解离吸附反应，给出了反应的物理图象，用新的势能面计算了H＿2在Ni（100）面上的解离吸附的速率常数，结果与Truhlar的结果相符。

In the third chapter,the electronic structures of the perovskite oxides,LaMnO3and CaMnO3,are studied for the first time by using the discrete variational clustermethod.The ground states of different magnetic symmetriesincluding ferromagnetic(FM,A-type antiferromagnetic,and G-type antiferromagnetichave been calculated.

第三章，首次尝试用团簇方法处理具有周期结构的镧锰氧化物类体系，给出了不同磁结构下(铁磁、A型反铁磁、G型反铁磁)LaMnO3和CaMnO3的电子结构，发现团簇方法可以模拟得出体的性质。

Variational method ; vortex ;β-gyres ; ventilation

变分方法；涡旋；β涡旋对；通风流

The variational trend of diversity index is county center＞south＞northeast＞northwest.

多样性的变化趋势是中部＞南部＞东北部＞西北部。

And fixed point theory and the solution of variational inequalities on fuzzy mappings are also discussed.

并且也对模糊映射的不动点理论及变分不等式进行了一些讨论。

By using a one-dimensional variational (1D-Var) method, relative humidity derived from GMS-5 multi-channel satellite images and from NOAA-14′s TIROS Operational Vertical Sounder radiances were corrected by 6-h RH forecasts of the MM5 meso-scale NWP model.

这两种反演资料分别是用统计反演法反演GMS-5静止气象卫星多通道遥感信息得到的GMS反演地球大气湿度，和用同步物理反演法反演NOAA-14极轨卫星的TOVS晴空测值所得的TOVS反演湿度。

In this new architectural plan the Garden of Golgotha came to be at the centre of the new city.

Aelia 是高举他自己，并在此城内朝拜罗马诸神。

The continuous nature of peat accumulation means that terrestrial coaly rocks may provide a higher resolution and more complete record of base-level change than the time-equivalent shallow-marine strata, thus enabling the identification of highfrequency cycles that are not recorded in themarine strata.

泥炭积累的持续性质的手段，陆地coaly岩石可提供较高的分辨率和更完整的记录基准面变化的影响时，相当于浅海阶层，从而使确定的高频周期，不记录在themarine 阶层。