中低温稠密等离子体电子压强的自洽场计算

Self-Consistent Field Calculation of Electron Pressure for Dense Plasmas with Medium-Low Temperature

Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China

摘要: 对含温有界自洽场平均原子结构中自由电子的判据作了修改，用分波法和Fermi-Dirac统计处理自由电子。在计算电子压强时考虑了共振态和交换、库仑关联对压强的影响。计算并与实验比较了Ni、Cu的零温电子压强。以Fe、Pb为算例，展示了本模型的适用性。
- 平均原子模型 /
- 电子压强 /
- 共振态
Abstract: Criterion for determining free electrons in general SCF average atomic model is revised to describe well the existence of the potential in condensed matter, and, partial wave and Fermi-Dirac statistics are employed for dealing with the resonant electrons and free electrons, individually. The electron pressure is acquired by taking into account the contribution of the resonant states and that of exchange and Coulomb correlations among electrons. The electron pressures for Ni and Cu at zero-temperature are calculated and compared with experiments. Applicability of the model is shown via calculations of pressure for Fe and Pb at definite low temperature and some densities.
- average atomic model /
- electron pressure /
- resonant state

Zink J W. Shell Structure and the Thomas-Fermi Equation of State [J]. Phys Rev, 1968, 176(1): 279.

Rozsnyai B F. Relativistic Hartree-Fock-Slater Calculations for Arbitrary Temperature and Matter Density [J]. Phys Rev A5, 1972, (3): 1137.

Liberman D A. Self-Consistent Field Model for Condensed Matter [J]. Phys Rev B20, 1979, (12): 4981.

Meng X J, Sun Y S. Calculation of Atomic Average Degree of Ionization [J]. Acta Physica Sinica, 1994, 43(3): 345. (in Chinese)

孟续军, 孙永盛. 原子平均离化度的研究 [J]. 物理学报, 1994, 43(3): 345.

Lee C M, Thorsos E I. Properties of Matter at High Pressures and Temperatures [J]. Phys Rev A17, 1978, (6): 2073.

Dharma-Wardana M W C, Taylor R. J Phys C14, 1981, 629.

Al'tshuler L V, Kormer S B, Bakanova A A, et al. Sov Phys JETP, 1960, 11: 573; Sov Phys JETP, 1962, 15: 65.

Xu X S, Zhang W X. Introduction to the Theory of Practical Equation of State [M]. Beijing: Science Press, 1986. 204-216. (in Chinese)

徐锡申, 张万箱. 实用物态方程理论导引 [M]. 北京: 科学出版社, 1986. 204-216.

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