摘要
当氦原子处于基态((1s)2组态)或第一激发态(1s2s、1s2p组态)时,其能量可用变分法计算,如果用变法计算氦原子第二激发态1s3p组态能量,则需要注意两个问题:一是由于氦原子第二激发态1s3p组态的两个电子处于不同的壳层,不能用计算基态能量中采用的单参数方法,同时,由于3p电子较远离原子核,对1s电子的影响较小,也没有必要用计算第一激发态中的双参数方法;二是要保证氦原子1s3p组态波函数与基态及第一激发态波函数的正交.基于以上两点,这里给出一种用变分法计算氦原子1s3p组态能量的具体方法,计算过程直观,计算结果与实验值相当接近.
The Helium atom's energy of the ground state ((1s)2 configuration) a nd the first excited state (1s2s、1s2p configuration) can be calculated by using the Variation method. If using the Variation method to calculate the Helium ato m's energy of the second excited state (1s3p configuration), two problems arise : the first is that the two electrons of the 1s3p configuration of the Helium at om is on the different case, so the single-parameter method can't be used. Bein g far from the nuclear, the 3pelectron's influence on the 1selectron is very wea k, so the double-parameter method is too complicated. The second is that the or thogonality between the wave function of the 1s3p configuration and the ground s tate or the first excited state should be ensured. Considering the two points, a concrete way of calculating the energy of the 1s3p configuration is presented. The process of the calculation is practical and the result confirms experimental data.
