一种含势阱具有混合交换势形式的平均原子模型  

An average-atom model with potential-well and mixed form of exchange potential

作　　者：贾洪祥[1] 孟续军[1] 

机构地区：[1]北京应用物理与计算数学研究所计算物理实验室,北京100088

出　　处：《物理学报》2005年第1期70-77,共8页Acta Physica Sinica

基　　金：国家自然科学基金 (批准号 :10 1740 10 );冲击波物理与爆轰物理国防科技重点实验室基金(批准号:5 14 780 3 0 2 0 3ZW0 90 2 )资助的课题~~

摘　　要：对传统的简单平均原子模型 (AAM)作了改进 :1 使用了动态自由电子判据 ;2 将自由电子分为三种类型 ,分别用分波法和统计方法加以处理 ;3 应用变分原理给出了一种混合形式的交换势取代了Slater势 ;4 应用材料常态常数标定了原子结构中的参数 .作为算例 ,计算并与实验比较了Fe ,Ni。A traditional average-atom model (AAM) is improved in several aspects. I. A dynamic criterion for free electrons is adopted. 2. The free electrons are classified in three types, each of which is treated by the partial wave method and Fermi-Dirac statistics. 3. An exchange potential in mixed type is obtained to replace the Slater potential by applying the variation principle. 4. A parameter alpha in the atomic structure is calibrated by the constants of material under normal conditions. As examples electron pressures of Iron, Nickel and Copper at zero temperature are calculated and compared with the results obtained by other theories and in experiments.

关 键 词：平均原子模型 交换势 势阱 电子压强 自由电子 变分原理 原子结构 实验比较 AAM 应用材料 

分 类 号：O53[理学—等离子体物理]