混合物质原子结构的自洽场计算

SELF-CONSISTENT CALCULATION OF ATOMIC STRUCTURE FOR MIXTURE

基于含温有界Hartree Fock Slater相对论自洽场平均原子模型 ,应用体积相加原理 ,计算混合物质的原子结构 .给出了求解混合物的Thomas Fermi方程以及自洽场原子结构的方法 。

Based on relativistic Hartree\|Fock\|Slater self\|consistent average atomic model,atomic structure for mixture is studied by summing up component volumes in mixture.Algorithumic procedure for solving both the group of Thomas\|Fermi equations and the self\|consistent atomic structure is presented in detail,and,some numerical results are discussed.