相对原子质量的数值计算研究

STUDY ON THE NUMERICAL CALCULATION OF RELATIVE ATOMIC MASS

以自然三次样条内插值函数构建的化学元素相对原子质量计算的数学表达式,乃是全部通过数据点的二阶连续可微的分段三次多项式函数,亦是所有数据点最光滑的函数,且总曲率最小的唯一函数,故表达式精确度极高。鉴此,采用B样条插值函数作化学元素相对原子质量的数值计算,获得了极满意的结果。

A mathematical expression based on the natural cubic interpolating spline was described for the calculation of relative atomic mass. All the 2nd order continuous differentiable subsection tri-multinomial functions passed through the data points, thus giving the smoothest function of all data points and the exclusive function with minimum total curvature. In its application to the calculation of relative atomic mass of elements with atomic numbers from 1 to 112, results obtained by this calculation method were in good consistency with the values given as printed in the atomic mass table of the year 1999.