蛋白质中能量和电荷迁移不仅在它的生物学功能中起着重要的作用,而且也展现了美好的应用前景(如有机半导体、有机超导体等等)。为了描述这种能量和电荷迁移,Szent-Gygyi在1941年提出了开拓性的思想,认为蛋白质分子和半导体一样,存在非局域的电子和空穴。到目前,为了确定蛋白质的能带结构和电子非局域化的可能途径已经进行了一些理论研究。这些结果说明蛋白质是良绝缘体而不是半导体。然而,上述研究采用的模型都是比较简 The transfer of energy and charge in proteins not only plays an important role in its biological functions, but also shows promising applications (such as organic semiconductors, organic superconductors, etc.). To describe this energy and charge transfer, Szent-Gygyi pioneered the pioneering thinking in 1941 that protein molecules, like semiconductors, have nonlocal electrons and holes. Up to now, there have been some theoretical studies in order to determine possible protein band structures and electron nonlocalization. These results indicate that the protein is a good insulator rather than a semiconductor. However, the models used in the above studies are relatively simple