碱金属自由电子相关能量的计算

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

Hartree Fock近似 (HFA)定性说明碱金属系统的结合 ,但算出的结合能定量值偏小 ,为了改进计算结果 ,有人曾经尝试计算库仑作用的二阶以及高阶微扰修正 (称为相关能 ) ,但都碰到了发散的困难 .本文考虑金属自由电子气屏蔽效应之后 ,重新计算了二级微扰能量求得相关能计算公式 ,并用此式对金属氢系统做了数值计算 .

Hartree fock approximate (HFA)explain qualitatively a combination of alkaline metal system, but the qualitative value of calculated binding energy is deflection small. To improve calculated result, people had ever tried to calculate two stage or high stage perturbation rectification (called correlation energy) under Coulomb interaction, but all had some difficulties on the divergence. This paper thought over shielding effect of metal free electron gas, and restarted to calculate two order perturbation energy so that we obtained the formula of correlation energy, then metallic hydrogen system was calculated about value by this formula.