1) Approximate gradient
![点击朗读](/dictall/images/read.gif)
近似梯度
2) approximate subgradient
![点击朗读](/dictall/images/read.gif)
近似次梯度
1.
In this paper we study the problem of solving approximate points by using the proximal bundle method based on approximate subgradients.
利用建立在近似次梯度基础上的近似Bundle算法研究了迫近点的求解问题,并给出了一类算法及算法的收敛性定理。
3) GGA
![点击朗读](/dictall/images/read.gif)
广义梯度近似
1.
Density functional theory (DFT) based on generalized gradient approximation (GGA) and local density approximation (LDA) was used to calculate the energy gap of a set of zigzag single-walled carbonnanotubes (SWCNT) with different diameters.
采用基于广义梯度近似(GGA)和局域密度近似(LDA)的密度泛函方法(DFT)对不同直径的一组锯齿型碳纳米管进行了能隙计算,将得到的结果相互对比并与实验数据进行对比,得到了一组单壁锯齿型碳纳米管的能带特征,发现其能隙值在0~1。
2.
First-principles calculations within the generalized gradient approximation(GGA) are carried out on the energy gaps of both isolated zigzag SWNTs(7,0),(8,0),(9,0),(12,0) and their corresponding bundles in this paper.
本文采用基于广义梯度近似(GGA)的第一性原理方法,对锯齿型单壁碳纳米管束(7,0)、(8,0)、(9,0)、(12,0)及其相应的孤立管的能带结构和能隙进行理论计算。
3.
The system energies and surface structures are comparatively calculated by generalized gradient approximation(GGA) and local density approximation(LDA),based on density functional theory(DFT) in k-point space with periodic boundary condition.
在周期性边界条件下的k空间中,采用局域密度近似法和广义梯度近似法,对比计算两种体系的能量和表面结构。
4) general gradient approximation(GGA)
![点击朗读](/dictall/images/read.gif)
广义梯度近似(GGA)
5) generalized gradient approximation
![点击朗读](/dictall/images/read.gif)
广义梯度近似
1.
The electronic structure of MgB2 under pressure is investigated by using the full-potential(linearized) augmented plane-wave((L) APW) method within the generalized gradient approximation correction(GGA).
我们利用基于密度泛函理论框架下的广义梯度近似,结合全势(线性)缀加平面波方法,研究了高压下MgB2的电子结构,得到了几种压强下MgB2的电子能带结构。
2.
Ernzerhof)method of the generalized gradient approximation theory,the absorption spectra and the dielectric constants of the zig-zag single wall carbon nanotubes(6,0)、(9,0)、(10,0)、(11,0)、(13,0)、(14,0)、(15,0)and(16,0)have been studied theoretilly.
采用广义梯度近似方法中的PBE(J。
3.
Structures of [Tin-mH2]x(n=2~7;m=0~22;x=-1,0,+1)are optimized using the DMOl3 cluster method based on the density functional theory(DFT) under the generalized gradient approximation.
利用基于广义梯度近似的密度泛函理论,计算了小体系的[Tin–mH2]x(n=2~7;m=0~22;x=-1,0,+1)团簇。
6) Approximate subgradient algo-rithm
![点击朗读](/dictall/images/read.gif)
近似次梯度算法
补充资料:近似
相近或相像但不相同:这两个地区的方音有些~。
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