1) FLAPW and GGA
广义梯度近似密度泛函和全势能线性缀加平面波方法
2) full-potential linearized augmented plane wave
全势能线性缀加平面波
1.
The density functional theory on the level of generalized gradient approximation and full-potential linearized augmented plane wave,and the two-dimensional cubic fitting method have been used to calculate the geometrical and elastic property of LaNi3.
在全电子水平上,采用广义梯度近似密度泛函理论和全势能线性缀加平面波方法并结合二维立方拟合方法,对LaNi3。
3) full-potential linerized augmented plan-wave(FLAPW)
全势线性缀加平面波方法(FLAPW)
4) full-potential linearized augmented plane-wave method
全势线性缀加平面波方法
1.
The electronic band structures of TiO_2 films doped with V+ were calculated using a self-consistent full-potential linearized augmented plane-wave method within the first principles formalism.
用金属离子注入方法在锐钛矿TiO2薄膜中掺杂了V+,采用全势线性缀加平面波方法计算了锐钛矿TiO2及V+掺杂TiO2超原胞的电子结构,通过紫外-可见吸收光谱测试方法检测了注入不同剂量的V+对TiO2薄膜吸收光谱的影响。
5) FPLAPW
全势线性缀加平面波
1.
The equilibrium structure, electronic structure, and formation heat of Pu3M (PuM3) (M=Ga, In, Sn and Ge) compounds with AuCu3 structure have been calculated using full potential linear augmented plane wave (FPLAPW) method with generalized-gradient approximation (GGA) including spin-orbit coupling (SOC) and spin polarized (SP).
采用全势线性缀加平面波(FPLAPW)方法,在广义梯度近似(GGA)+自旋轨道耦合(SOC)+自旋极化(SP)下计算了具有AuCu3构型的Pu3M和PuM3(M=Ga,In,Sn,Ge)化合物的平衡结构、电子结构和形成热。
2.
We employ a full potential linearized augmented plane wave(FPLAPW) approach to calculate the partial density of states, which is in agreement with previous experimental results.
采用全势线性缀加平面波方法计算得到了GaN分波态密度 ,与以前实验结果一致 。
6) FLAPW
全势线性缀加平面波
1.
gmented plane wave method(FLAPW) is used to study the (001) surface of δ-Pu in the generalized-gradient approximation(GGA)and antiferromagnetic(AFM)configuration.
采用FLAPW(全势线性缀加平面波)方法,在广义梯度近似(GGA)、反铁磁(AFM)下研究了δ-钚(001)面的性质。
2.
The full potential linear augmented plane wave(FLAPW) method is used to study geometric and electronic structure of δ-Pu monolayers corresponding to the (100) and (111) surfaces in the generalized-gradient approximation(GGA).
采用全势线性缀加平面波(FLAPW)方法,在广义梯度近似(GGA)下研究了单层δ-钚(100)和(111)面的几何和电子结构。
补充资料：广义
范围较宽的定义（跟‘狭义’相对）：～的杂文也可以包括小品文在内。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条