相关能 meaning in English
correlation energy
Examples
- But compared with the present experimental data , our results show fair agreement with them , ( ii ) the correlation energy of charged excitons versus the quantum well width is also basically conformed to the previous results
（ 2 ）带电激于体系的相关能随阶宽的变化与前人的结果大致相符，其绝对值略低于前人的理论数值，但是曲线的变化趋势保持一致。 - The first order nonlinear hyperpolarizabilities in second - harmonic generation process and electro - optical pockels effect are computed . the basis set effects in ab - mitio quantum - chemical computation are mainly studied . the correction to the nonlinear optical properties due to the electronic correlation energy is discussed and the relationship between the first order hyperpolarizabilities and the frequencies of the external electric field is also investigated
计算了二次谐波振荡过程和电光pockels效应过程的一阶非线性超极化率，研究了电子的相关能对pna分子的非线性光学性质的影响以及pna分子的一阶非线性超极化率与外加光电场频率之间的色散关系，并着重讨论了量子化学从头计算中基矢组的选取对计算结果的影响。 - We used density functional theory ( b3lyp ) , which is becke ' s three parameter hybrid function using the lee , yang and parr ( lyp ) correlation function . the basis sets we used is 6 - 31g * . the excited state energies and electric dipole transition moments are calculated by time - dependent dft
分子的几何结构在杂化的密度泛函理论( dft ) b3lyp水平上优化，其中电子的交换能采用becke的三参数交换函数，而电子的相关能采用lee , yang ，和parr的相关能函数，选用的基矢是6 - 31g * - By the complicated mathematical calculating , we obtain the energy equation of charged excitons , from which we can determine the variational parameters a and , thus the complex energy of charged excitons can be calculated , and the binding energy and correlation energy of charged excitons can be obtained versus the quantum well width
通过复杂的数学推导得到带电激子体系能量的数学表达式，对变分参数和变分可确定出变分参数和，从而得到体系能，进而计算出体系的束缚能和相关能随阱宽的变化。 - In the effective mass approximation , using the two - dimensional equivalent potential model and a simple two - parameter wave function , we calculate variationally the ground state binding energy and correlation energy of positively and negatively charged excitons in finite deep gaas - al0 . 33ga0 . 67as quantum wells . the results show fair agreement with the previous experimental results
在有效质量近似下，我们采用二维等效势模型，并且选取了数学形式简单、物理意义明确的两参数变分波函数，利用变分法数值计算了有限深gaas ? al _ ( 0 . 33 ) ga _ ( 0 . 67 ) as量子阱中带电激子的基态束缚能及相关能，所得结果与实验结果符合得很好。