1) ab initio potential function
abinitio势函数
2) Ab initio
Abinitio
1.
Ab initio Study on the Structure of 2,4-Dimethyl-1,3-pentadiene;
Abinitio方法研究2，4－二甲基－1，3－戊二烯结构
2.
Optimized structure , atomic net charge , adsorption energy and frontier orbital energy of C 3H 6/ C 3H 8 and AgCl / CuCl are calculated by ZINDO/1 and ab initio/STO-6G*.
用ZINDO/ 1和abinitio/STO -6G 方法 ,对C3H6 、C3H8与AgCl、CuCl间的吸附态优化构型、原子净电荷、吸附能、前沿轨道能量作了计算。
3.
With the method of ab initio HF and Density Functional Theory (DFT)B3LYP,the geometric structures of the reagent intermediate,product and its isomer were optimized and their total energies were calculated.
利用abinitioHF和密度泛函理论 (DFT)B3LYP方法 ,对反应物、中间物、产物及其同分异构体进行几何结构的优化和总能量计算 ,系统分析前线分子轨道特征和能级分布规律 。
3) EAM potential
EAM势函数
4) potential energy function
势能函数
1.
Structure and potential energy functions of the ground state of LiH molecule;
LiH基态分子(X~1∑~+)的结构与势能函数
2.
Structure and potential energy function of PdPbH ground state molecule;
PdPbH分子的结构与势能函数
3.
Structure and potential energy function of the ground state(X~1∑~+) of NaH;
NaH分子基态(X~1∑~+)的分子结构与势能函数
5) Potential function
势能函数
1.
Structures and potential functions of coinage metal polonide molecules MPo(X~2∏),(M=Cu,Ag,Au);
重金属钋化物分子MPo(~2∏),(M=Cu,Ag,Au)的结构和势能函数(英文)
2.
There are three kinds of potential functions in the interaction between helium and titanium.
分子动力学研究氦钛两体相互作用涉及3种体系势能函数的表述。
3.
Based on the double integrator model,a control strategy is designed by using potential function which is proposed from the perspective of electric potential.
在二次积分模型的基础上,采用了采用了势能函数进行控制设计,该势能函数是基于电势场的概念提出的。
6) potential function
势函数
1.
Discussion of potential function and equilibrium equation about problem of rock sample monaxial compress failure;
岩样单轴压缩破裂问题势函数和平衡方程的讨论
2.
Uniform measurement and uniform dots distribution based on potential function;
基于势函数的均匀性度量与均匀性布点方法
3.
Analysis on the potential function of the nonlinear system of laser-DNA interaction;
激光与DNA作用的非线性系统的势函数分析
补充资料：B函数