1) 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 。
2) Empirical Pseudopotential Method
经验赝势方法
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。
5) 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。
6) Pseudopotential basis set
赝势基组
补充资料：赝手
1.指伪造古代名人手笔的人。
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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