【摘要】 本文推导了大规模CI计算中需要的、外空间的全部LOOP形及其对HAMILTON矩阵元的贡献。由于考虑了直接型与交换型LOOP之间的联系,本文给出的LOOP形数目及其贡献远少于前人的结果。更多还原

【Abstract】 In this paper all loop shapes in the external space and their contributions to Ha(?)iltonian matrix clements, which are needed in the large—scale CI calculations, are derived and tabulated. Relations between direct and exchange loops are taken into account and the number of loop shapes given in this paper is much less than the number given by others.更多还原