The electron density function of the Hückel (tight-binding) model
نویسندگان
چکیده
منابع مشابه
The electron density function of the Hückel (tight-binding) model
The Hückel (tight-binding) molecular orbital (HMO) method has found many applications in the chemistry of alternant conjugated molecules, such as polycyclic aromatic hydrocarbons (PAHs), fullerenes and graphene-like molecules, as well as in solid-state physics. In this paper, we found analytical expressions for the electron density matrix of the HMO method in terms of odd-powers of its Hamilton...
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ژورنال
عنوان ژورنال: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
سال: 2018
ISSN: 1364-5021,1471-2946
DOI: 10.1098/rspa.2017.0721