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中国物理学会期刊

氦原子关联能的B样条计算

CSTR: 32037.14.aps.46.2104

CALCULATION OF THE ELECTRONIC CORRELATION-ENERGY IN HELIUM ATOMS BY MEANS OF B SPLINE TECHNIQUE

CSTR: 32037.14.aps.46.2104
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  • 用B样条方法计算了氦原子基态的关联能,与Slater基作了比较,分析了B样条方法用于电子关联计算的可行性及优缺点.结果表明B样条方法可以有效地用于电子关联的计算.

     

    The B spline method for calculating the correlation energy of helium atoms is proposed.The result is compared with that by Slater basis functions.The virtue defect and practicability of B spline technique are analysed.It is shown that the B spline technique can be used widely in the calculation of electronic interaction.

     

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