光学学报, 1983, 3 (3): 193, 网络出版: 2011-09-15
氮分子第二正带系振子强度的理论计算
Theoretic calculation of the oscillator strength of the second positive band system of the nitrogen molecule
摘要
根据组态互作用法,采用TQ-16电子计算机及CROMEMCO微处理机计算了氮分子激发态C~3П_u、B~3П_g的能量及波函数,提出了一套选择组态函数的准则.采用投影算符消除其它多重态的影响.在偶极近似情况下,氮分子第二正带系振子强度的计算值为0.09739,与实验值颇相符合.本文提出的方法可应用于所有双原子分子.
Abstract
By means of the configuration interaction the energies and the wave functions for the excited C3?u and B3?g states of the nitrogen molecule are calculated with the electronic computers TQ-16 and CROMEMCO. The set of criteria for selecting configuration function are presented. The effects of other multiplicate states on the excited C3?u and B3Πg states are excluded by using the projection operator. In the dipolar approximation the calculated value of the oscillator strength for the second positive band system of the nitrogen molecule is 0.09739,being in good agreement with experimental value. The presented method in the paper can be applied to all diatomio moleculea.
田兴时, 熊烨. 氮分子第二正带系振子强度的理论计算[J]. 光学学报, 1983, 3(3): 193. TlAN XINGSHIN, XlONG YE. Theoretic calculation of the oscillator strength of the second positive band system of the nitrogen molecule[J]. Acta Optica Sinica, 1983, 3(3): 193.