1) ultrasoft pseudopotential
超软赝势
1.
The most stable geometries and electronic properties of gold clusters Aun (2≤n≤20) were in- vestigated using density functional theory with ultrasoft pseudopotentials (US-PP) and projector aug- mented-wave (PAW) method, based on the primary structures from genetic algorithm methods.
在遗传算法和Gupta多体势系统地搜索金属团簇初始结构基础上,应用密度泛函理论和基于局域密度近似(LDA)或广义梯度近似(GGA)的超软赝势和投影扩充波(PAW)方法分别系统地研究了金属团簇Aun(n≤20)的最稳定构型和电子性质。
3) pseudopotential
赝势
1.
The Comparison of Two Pseudopotentials in ZnO First-principles Calculation;
ZnO第一性原理计算中两种赝势方法之比较
2.
The chemisorption properties of the iodine atoms on Ag(110)(2× 1) surface have been studied by using ab initio norm - conserving pseudopotential plane wave molecular dynamics method based on density functional theory, within the local density approximation.
采用基于密度泛函理论的第一性模守恒赝势平面波分子动力学方法研究了碘原子在Ag(110)面的吸附性质。
3.
Based on pseudopotential theory, with the dissembling of crystal framework, this paper calculated the atom potentials in the intermetallic compound Fe 3Al.
以赝势方法的理论为依据，采用晶体拆分的方法，计算了金属间化合物Ｆｅ３Ａｌ的原子相互作用势函数，并提出了一套适合于计算以金属键结合的置换型固溶体能量问题的方法。
4) empirical pseudopotential
经验赝势
1.
Quantum band structure theory and empirical pseudopotential are used to calculate the elastic strain force of (Pb) n /(Bi) n , (Al) n /(As) n ideal cubic twinning superlattice model.
根据量子能带理论 ,采用经验赝势方法 ,对 (Pb) n/ (Bi) n,(Al) n/ (As) n 的假想简立方二元超晶格结构的弹性应力进行了计算 。
5) Pseudopotential basis set
赝势基组
6) pseudo-potential function
赝势函数
1.
The pseudo-potential function mathematical model derived by means of the term-condensing on the basis of curl definition is developed,by which the flow field for three dimension transonic flow with curl can be decided.
运用缩项法,从最一般的旋度定义出发,推导出了一种能解决3维跨声速有旋流动的新的数学模型———赝势函数数学模型,并运用张量分析和雅可比变换系统地推导出了全3维有旋流动在旋转的任意曲线坐标系下的赝势函数方程通用形式,推导出了笛卡尔直角坐标系下的赝势函数具体形式,从而为全3维有旋流动(特别是含激波的跨声速流动)提供了一个简单的数学形式和理论基础。
2.
The variational of finite element method(FEM) using the pseudo-potential function is presented to design the airfoil shape of transonic rotational flows.
本文运用赝势函数变域变分有限元方法进行了跨音速翼型设计。
3.
The variation finite element method(FEM) using the pseudo-potential function was presented for the simulation of transonic rotational flows.
本文运用赝势函数变分有限元方法数值模拟了绕翼型的跨音速有旋流动。
补充资料：赝迹
1.亦作"赝迹"。 2.伪造的书画墨迹。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
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