| 引用本文: | 袁建民.一种新的自相互作用修正势.[J].国防科技大学学报,1988,10(1):87-92.[点击复制] |
| Yuan Jianmin.A New Scheme For the Self-Interaction-Correction[J].Journal of National University of Defense Technology,1988,10(1):87-92[点击复制] |
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| 一种新的自相互作用修正势 |
| 袁建民 |
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(应用物理系)
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| 摘要: |
| 本文提出一种对具有相同角量子数的壳层取平均的自相互作用修正势，保证了单电子波函数之间的正交性，计算结果好于Xa 方法和作者本人及其他作者提出的单一平均自相互作用修正势的计算结果。 |
| 关键词: 自相互作用修正，势函数，Xa方法 |
| DOI： |
| 投稿日期：1987-08-05 |
| 基金项目: |
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| A New Scheme For the Self-Interaction-Correction |
| Yuan Jianmin |
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(Department of Applied Physics)
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| Abstract: |
| A new self-interaction-correction method is presented in which the shells of the same angular quantum number 1 share one self-interaction-corrected potential. The described method keeps the one-electron eigenfunctions of the same 1 in orthogonal to each other. The results of the practical calculations are better than that of the Xa method and the single averaged self-interaction-correction method. |
| Keywords: Self-interaction-correction,Potential funetion,Xa methoh. |
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