The functions to generate symmetrical group orbitals by our new method and to implement the evaluation of analytical energy gradients as well as its use in automatic geometry optimization are also incorporated.
在已有的高精度非相对论密度泛函理论计算程序中编入新的方法进行近似相对论密度泛函计算、产生对称性群轨道和实现解析能量梯度计算及几何构型自动优化功能的程序。
Continuous carbonation decomposition (CCD) is one of the key procedures in sintering process of alumina production, its decomposition ratio gradient and the last-tank decomposition ratio directly affect the quality and yield of products.
连续碳酸化分解(简称连续碳分)过程是烧结法生产氧化铝的关键工序之一,其分解梯度与末槽分解率直接影响产品的产量和质量。
A set of technology about resin adsorption and gradient desorption was established.
建立了一套树脂吸附和梯度解吸工艺。
A gradient analysis based on the buffer zones of urban landscape pattern of the constructed area in Guigang City,Guangxi,China;
基于缓冲带的贵港市城市景观格局梯度分析
Spatio-temporal gradient analysis of urban green space in Ji′nan City;
济南市城市绿地时空梯度分析
Extent effect of landscape gradient analysis of urban-rural transect;
城乡样带景观梯度分析的幅度效应
Laser Induced Photochemical Reaction Simulations and the Implement Programs of Semiempirical MRCI with Analytic Gradients
激光诱导光化学反应模拟与半经验MRCI及其解析梯度程序化研究
Analytical solution of axi-symmetrical bending of cylindrical shells with functional gradient
功能梯度圆柱壳轴对称弯曲的解析解
3D analytical solution for a piezoelectric rotating annular plate with functionally graded property
功能梯度压电旋转圆环的三维解析解
An Analytic Expression for Computing Near Field Angular Glint by Phase Gradient Method
相位梯度法计算近场角闪烁的解析式
The Analytical Solutions of Concrete Thick-walled Cylinder with a Gradient Dependent Damage Model;
混凝土厚壁筒梯度依赖损伤模型解析解
Exact elastoplastic analysis of a functionally graded beam subjected to pure bending
功能梯度纯弯曲梁弹塑性问题的解析解
3D Analytical Solution for Rotating Disc of Functionally Graded Piezoelectric Materials with Transversely Isotropy
横观各向同性压电功能梯度旋转圆盘的三维解析解
An Interpretive Structure Model on the Grad in Generalized-grads Theory;
广义梯度理论中梯度的解释结构模型研究
ANALYTICAL CALCULATION OF MAGNETIC FIELD DISTRIBUTION AND GRADIENT OF CYLINDRICAL MULTIPOLAR MAGNETIC SEPARATOR
圆柱形多极磁选机磁场分布和场强梯度的解析计算
Conjugate Gradient Methods for Super-resolution Image Reconstruction Problems;
超解像度图像重构问题的共轭梯度法
Elasticity Solution of Simply-supported Functionally Graded Beams with Variable Thickness
简支功能梯度变厚度梁的弹性力学解
Thermoelastic Analysis of a Functionally Graded Annulus With an Arbitrary Gradient
任意梯度分布功能梯度圆环的热弹性分析
Three-dimensional bending analysis for simply supported functionally graded plate of arbitrary graded distribution
任意梯度分布简支功能梯度板的三维弯曲分析
The resulting solution is known as the gradient.
合成解就是通常的梯度风。
Nonlinear Conjugate Gradient Methods for Optimization Problems;
求解最优化问题的非线性共轭梯度法
Asymptotically Almost Periodic Solutions of Second-order Equations with Gradient Operators
带梯度算子二阶方程的渐近概周期解
Uniform Estimate of Gradient of Weak Solutions for a Class of Elliptic Equation
一类椭圆型方程弱解梯度的一致估计
MATLAB Simulation of Gradient-based Neural Network for Sylvester Equation Solving
梯度神经网络求解Sylvester方程之MATLAB仿真