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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
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《Nachrichten aus der Chemie》2014,62(11):1089-1091
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Much recent research in the educational field has been concerned with finding out the ideas which learners typically hold to explain phenomena and fundamental ideas in chemistry. Some of these conceptions do not correspond with the scientific view, for example the transfer of properties from the level of substances onto the level of particles. Many students fall back on their original conceptions outside the classroom. Examples of those daily‐life concepts and their development are presented here. 相似文献
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