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首页> 外文期刊>International Journal of Quantum Chemistry >POWER SERIES WITH RATIONAL COEFFICIENTS FOR TWO-ELECTRON ATOM ENERGIES
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POWER SERIES WITH RATIONAL COEFFICIENTS FOR TWO-ELECTRON ATOM ENERGIES

机译:两种电子原子能的有理系数功率系列

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摘要

The method of o(4, 2) operator replacements is generalized. As a result, the series whose limiting values when the variable goes to + infinity should correspond to the two-electron atom energies now have rational coefficients. This generalization allows one also to compute the series for the case of singlet S symmetry, a case which could not be considered in the previous original formulation of the method. Series with rational coefficients for the helium singlet and triplet S ground-state energy are calculated up to order 41 and 45, respectively. Moreover, symbolic computations also allow one to give the first few coefficients of these series for arbitrary values of the nuclear charge Z. Finally, a new method for analytic continuation to the limit + infinity is presented for the energies of the helium singlet and triplet ground states. (C) 1997 John Wiley & Sons, Inc. [References: 13]
机译:概括了o(4,2)运算符替换的方法。结果,当变量变为+无穷大时其极限值应对应于两个电子原子能量的级数现在具有有理系数。这种概括也使人们可以为单重态S对称的情况计算级数,这种情况在该方法的先前原始公式中无法考虑。分别计算氦单重态和三重态S基态能量的有理系数的级数分别达到41和45。此外,符号计算还允许人们针对核电荷Z的任意值给出这些级数的前几个系数。最后,针对氦单重态和三重态态的能量,提出了一种新的方法,用于将分析延续到极限+无穷大。状态。 (C)1997 John Wiley&Sons,Inc. [参考:13]

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