共查询到20条相似文献,搜索用时 15 毫秒
1.
2.
3.
4.
5.
6.
7.
8.
9.
10.
11.
12.
13.
14.
15.
16.
Wolfhard H. G. Koch 《International journal of quantum chemistry》2013,113(10):1568-1572
After having reviewed some pioneer integral approximations closely related to Rüdenberg's expansions of one‐ and two‐electron orbital products, we apply the previously described “Implicit Multi‐Center Integration” techniques on Roothaan's “restricted” Fock‐matrix components over standard atomic orbital bases. The resulting compact forms are very similar to the well‐known “Wolfsberg–Helmholz Conjecture” of “Extended‐Hückel Theory,” which relates the various off‐diagonal matrix elements of “restricted” Fock‐type to their corresponding diagonal counterparts. In this way, a “nonempirical Extended‐Hückel Theory” can be created. © 2012 Wiley Periodicals, Inc. 相似文献
17.
18.
19.