聚合物作为单体的函数：分析量子模型
Polymer as a function of monomer: Analytical quantum modeling
摘要：
为了确定聚合物的性质与其单体之间的解析关系，金属-分子-金属（MMM）结已经被提出作为一个有趣的和广泛使用的研究对象，其中分子是能够传导电荷的聚合物。在这项研究中使用的方法是基于紧束缚近似使用矩阵的基本性质的格林函数方法。对于聚合物基MMM系统，传输，态密度（DOS）和局域态密度（LDOS）已被计算为单体的哈密顿量的函数。在此之后，我们已经获得了从一个亚基到下一个亚基的LDOS变化的频率，该频率是能量的函数。
英文摘要：
To identify an analytical relation between the properties of polymers and their's monomer a Metal-Molecule-Metal (MMM) junction has been presented as an interesting and widely used object of research in which the molecule is a polymer which is able to conduct charge. The method used in this study is based on the Green's function approach in the tight-binding approximation using basic properties of matrices. For a polymer base MMM system, transmission, density of states (DOS) and local density of states (LDOS) have been calculated as a function of the hamiltonian of the monomer. After that, we have obtained a frequency for LDOS variations in pass from a subunit to the next one which is a function of energy.
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