中文摘要：

量子信息论是量子计算与量子信息理论的一部分,属于跨多学科、交叉领域的科学知识,量子效率是量子信息论中非常重要的一个概念,其在理论物理和量子化学等分支学科中都有着广泛的应用.但与理论物理中强调整体概念不同的是,我们在量子化学中往往会将量子效率区分为两种：内量子效率、外量子效率,二者在概念、实际意义等多方面都差别较大。我们的研究内容主要给出了内（外）量子效率在量子化学中的实际意义,指明其与研发有机电致发光器件的内在联系;探讨了量子化学领域一些具有优越性能的主客体发光材料,可为进一步制备多种性能优异的有机电致发光器件提供积极的参考。

英文摘要：

Quantum information theory is one part of the quantum computation and quantum information theory, belongs to the scientific knowledge in the field of across multiple disciplines. Quantum efficiency, which has a wide application in the branch of the theoretical physics and quantum chemistry, is a very important concept in quantum information theory. But unlike emphasizing the overall concept in theoretical physics, we divide quantum efficiency into two kinds in the quantum chemistry： internal quantum efficiency, external quantum efficiency, both of which are greatly different in many aspects. Our research contents mainly discuss the practical significance of internal （external） quantum efficiency in the quantum chemistry, and point out their inner connection with the research and development of organic light - emitting diodes ; we research, design, and synthesis of some host - guest luminescent materials of the quantum chemistry, which are good choices for the preparation of high performance of OLEDs.