density function theory的意思|示意
密度泛函理论
density function theory的网络常见释义
理论 ... Autosorb-1MP/ C I mprovements 122 DFT NLDFT 和QSDFT DFT，NLDFT 和QSDFT DFT 即密度函数理论（Density Function Theory）和蒙特卡洛分 子模拟方法（MC方法）是现实地反映多孔材料的孔中流体热力学 性质的分子动力学方法。
密度泛函理论 2.5.2 密度泛函理论 密度泛函理论（Density Function Theory ,DFT）是一种研究多电子体系电子结构的量 子力学方法。
密度泛函 采用密度泛函(Density Function Theory)B3LYP/6-31+G(d,p)计算了胞嘧啶分子的拉曼光谱.结合理论计算结果对实验拉曼光谱.
用密度泛函理论 ...索 泛函和XANES计算研究Zn 2+在水锰矿表面的吸附和沉淀 作者: 谢亚宁 来源: 摘要: 用密度泛函理论(density function theory, DFT)和X射线近边结构(X-ray absorption near edge structure, XAN...
density function theory相关短语
1、 density function theory dft 密度泛函理论
2、 The density-function theory 密度泛函理论
3、 Time-Dependent Density Function Theory 时密度泛函理论 ; 含时密度泛函理论 ; 密度泛函理论
density function theory相关例句
Articles about the theory of "distribution function of surface charge density" are reviewed and that this theory is incorrect is argued from viewpoint of symmetry.
文摘：从对称性角度出发讨论了导体表面的电荷分布问题，并对“电荷密度分布函数”的理论作了评述。
The probability density function of partial strain loading of product is defined in accordance with the relevant theory of random vibration test.
根据随机振动试验的有关理论，确定产品局部应变载荷的概率密度函数。
The isomerization mechanism of peroxynitrous acid (ONOOH) in the aqueous solution has been studied by using density function theory.
用密度泛函理论方法研究了过亚硝酸在水溶液中的异构化反应机理。
According to the relationship between auto correlation function and its spectral density, a new type of decision tree method based on signal analysis theory is proposed in this paper.
该文根据自相关函数与谱密度函数之间的对应关系，提出了一种新的基于自相关函数的决策树归纳学习算法。
The mechanisms dealing with the thermal decomposition of 5-nitro-1- hydrogen-tetrazole are studied by density function theory.
利用密度泛函理论研究了5-硝基-1-氢-四唑分子热分解的反应机理。
It was performed by adopting the first-principles calculation of plane wave ultra-soft pseudo-potential technology of based upon the Density Function Theory (DFT).
所有计算都是基于密度泛函理论(DFT)框架下的第一原理平面波超软赝势方法。