Calculation of the Na<sub>3</sub> cluster by the multiple scattering <italic style="font-style: italic">X<sub>α</sub></italic> method

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Calculation of the Na₃ cluster by the multiple scattering X_α method

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- Calculation of the Na₃ cluster by the multiple scattering X_α method
- Nuclear Techniques Vol. 12, Issue 6, (1989)
- 作者机构：
  
  1.扬州师范学院
  2.中国科学院上海原子核研究所
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Received：27 April 1988，
  
  Published：1989-06
- 稿件说明：
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Yingmei Wang, Fanan Zeng. Calculation of the Na₃ cluster by the multiple scattering X_α method[J]. Nuclear techniques, 1989, 12(6): 351-354.
DOI：

Yingmei Wang, Fanan Zeng. Calculation of the Na₃ cluster by the multiple scattering X_α method[J]. Nuclear techniques, 1989, 12(6): 351-354. DOI：

从已有的多重散射统计总能量公式出发，我们计算了Na

原子簇。该原子已用CI-SCF和LSD膺势方法计算过。为了进一步讨论这种方法的应用，我们计算了Na

原子簇的统计总能量、轨道能量、电离能。借助于这些结果，讨论了这种方法的优缺点。

Based on some assumptions and the multiple scattering X

method

calculations are carried out for the Na

cluster which were thoroughly investigated by the CI-SCF and LSD pseudopotential method. The statistical total energy

orbit energy and ionization energy of the Na

cluster are reported. Some advantages and limitations of the method are discussed in light of these results.

A. Herrmann et al . , J. Chem. Phys. , 68 （ 1978 ）, 2327 .

R. L. Martin and E. R. Davidson , Mol. Phys. , 35 （ 1978 ）, 1713 .

李俊清，量子化学中X α 方法及其应用，安徽科学技术出版社， 1984 年。

潘毓刚等， X α 方法的理论和应用，科学出版社， 1987 年。

J. W. D. Connolly and J. R. Sabin , J. Chem. Phys. , 56 （ 1972 ）, 5525 .

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Calculation of the Na3 cluster by the multiple scattering Xα method