孪函数N电子基向Slater多电子反对称基的展开

The Expansion Formula of Geminal N Electron Basis Set in Terms of Slater Determinants

发展了一套孪函数多电子基向Ｓｌａｔｅｒ行列式的展开方法，并得到展开系数的解析表达式，使得孪函数多电子基直接与Ｈａｒｔｒｅｅ－Ｆｏｃｋ从头计算相关联．

By means of a deeper investigation of geminal N electron basis set, the expansion formula of geminal N electron basis set in terms of Slater determinants is obtained, in which the expansion coefficients are given explicity. As a direct result, the Hartree Fock ab initio calculations can be taken as the starting point in the application of the geminal N electron basis set for practical use.