Relativistic Hartree-Fock-Slater Calculations for Arbitrary Temperature and Matter Density
Relativistic Hartree-Fock-Slater Calculations for Arbitrary Temperature and Matter Density
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DOI：
10.1103/physreva.5.1137
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发表时间：
1972
影响因子：
2.9
通讯作者：
B. Rozsnyai
中科院分区：
文献类型：
--
作者：
B. Rozsnyai
提出了一种适用于任意物质密度和温度的电子能级和原子态方程的计算算法。在迭代过程中，自洽场处理从相对论Thomas-Fermi-Dirac模型开始。维持费米统计量和中心场近似，给出平均原子表示。在一个简单的近似中考虑了上层电子能级在频带中的展宽。给出了Fe 26和Rb 37原子在不同温度和物质密度下的计算结果。
An algorithm is presented to calculate electronic levels and the equation of state of atoms suitable for arbitrary matter density and temperature. The self-consistent-field treatment starts with relativistic Thomas-Fermi-Dirac model in the iterative procedure. The Fermi statistics and the central-field approximation are maintained, giving an average atom representation. The broadening of upper electronic levels into bands is taken into account in a simple approximation. Calculations are presented for the Fe 26 and Rb 37 atoms at several temperatures and matter densities.