| W含温有界下状态方程参数的理论计算 |
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| 引用本文： | 朱希睿,孟续军,田明锋.W含温有界下状态方程参数的理论计算[J].原子与分子物理学报,2010,27(5):942-948. |
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| 作者姓名： | 朱希睿 孟续军 田明锋 |
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| 作者单位： | 北京应用物理与计算数学研究所,北京,100088 |
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| 摘 要： | 在改进的Hartree-Fock-Slater原子模型的基础上，在中心场近似下用含能带效应的全动态电子判据处理自由电子与束缚电子的密度分布，提高了电子波函数、电子占据数等原子参数的计算精度.通过平均近似处理，给出了劈裂的能带，从而改善了物质电子状态方程的计算精度.结果部分详细计算了W元素的原子能量、电子压强、熵、定容热容及其它热力学参数
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| 关 键 词： | Hartree-Fock-Slater，原子结构，原子能量，电子压强 |
EOS calculation of W for arbitrary temperature and matter density |
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| ZHU Xi-Rui,MENG Xu-Jun,TIAN Ming-Feng.EOS calculation of W for arbitrary temperature and matter density[J].Journal of Atomic and Molecular Physics,2010,27(5):942-948. |
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| Authors: | ZHU Xi-Rui MENG Xu-Jun TIAN Ming-Feng |
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| Institution: | Institute of Applied Physics and Computational Mathematics,Institute of Applied Physics and Computational Mathematics,Institute of Applied Physics and Computational Mathematics |
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| Abstract: | On the basis of the improved Hartree-Fock-Slater atomic model, the distribution of the free electrons is dealt with in partial wave method in central field approximation to improve the precision of energy level and electron distribution. Through a uniform approximation, the energy bands are given, thus improving the material equation of state of the electronic calculation accuracy. As the results, the thermodynamic parameters of W are calculated. |
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| Keywords: | Hartree-Fock-Slater Atomic model Atomic energy Electronic pressure |
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