第三周期元素正常态原子的四参数解析波函数与能量的计算

ANALYTICAL WAVE FUNCTIONS OF THE NORMAL STATE ATOMS FOR THE THIRD PERIOD ELEMENTS AND CALCULATIONS OF ENERGY

本文提出了一套简单适用的四参数变分波函数,对第三周期元素正常态原子进行了系统计算。采用变分法定出了解析波函数的最佳参数,并对各原子的能量进行了系统的大量计算。结果表明,其原子的能量值都较好,且比李光伟等人提出的五参数波函数的计算值还要好。

This paper proposed a set of variational wave functions that have four parameters, and it also systematically calculated the normal state atoms for third period elements. It gave the best parameters of analytical wave functions by the variational methods, and large-scale systematically calculated the energy of every atom. These results showed that the energy of atoms are better than the calculated values giving by G.W.Li etal, their wave functions have five parameters.