correlation energy

The parallel algorithm for the correlation energy of double electron system

二电子系列关联能的并行计算

The calculated values are affected by lattice constant , selection of pseudopotential and selection of exchange-correlation energy.

晶格参数的优化 、 赝势的选取和交换关联项的选择都对计算结果有较大影响.

The ground state correlation energy of helium by using parallel

用并行计算的方法研究He原子基态关联能

The Theoretical Calculation of the Correlation Energy and the Approximative Calculation of the Molecular Correlation Energy

相关能的理论计算及分子体系相关能的近似计算法

The new energy function includes structure energy 、 texture energy and correlation energy.

本文提出了新的能量函数，它包括了结构能量、纹理能量以及相关性能量。

Correlation energy of double electron system obtained by using B splines basic sets

采用B样条有限基集获得等电子系列基态关联能

The calculation of correlation energy in the alkaline metal free electron system

碱金属自由电子相关能量的计算

The results indicate that the metastable defects shift toward to the deep of the gap and correlation energy increases with the light illumination time.

结果表明，缺陷态分布随光照时间向能隙深处移动，相关能增加。