Pade近似下动能密度泛函直到六阶项梯度展开的收敛和
Convergent sum of gradient expansion of the kinetic-energy density functional up to the sixth order term using Pade approximant
摘要：
当应用于原子或有限系统时，动能泛函的梯度展开通常严重高估四阶能量，并且通常在六阶发散。我们用有理函数代替被积函数中包含六阶项的渐近级数，避免了积分的发散。帕德逼近显示适度的改善，在精度与部分和的系列。讨论了原子和双电子原子的胡克定律模型的结果。
英文摘要：
The gradient expansion of the kinetic energy functional, when applied for atoms or finite systems, usually grossly overestimates the energy in the fourth order and generally diverges in the sixth order. We avoid the divergence of the integral by replacing the asymptotic series including the sixth order term in the integrand by a rational function. Pade approximants show moderate improvements in accuracy in comparison with partial sums of the series. The results are discussed for atoms and Hooke law model for two electron atoms.
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